N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide

C91H100FN9O18 — CID 158270743

IUPACN-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCCN2CCOCC2)cc1OC.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCCc2ccccc2)cc1.O=C(CCCN1CCOCC1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C25H25NO3.C24H29FN2O5.2C21H23N3O5/c1-29-21-17-15-20(16-18-21)25(28)26-23-13-7-6-12-22(23)24(27)14-8-5-11-19-9-3-2-4-10-19;1-30-22-15-18(21(28)9-5-6-10-27-11-13-32-14-12-27)20(16-23(22)31-2)26-24(29)17-7-3-4-8-19(17)25;25-20(10-5-11-23-12-14-29-15-13-23)16-6-1-3-8-18(16)22-21(26)17-7-2-4-9-19(17)24(27)28;25-20(9-4-10-23-11-13-29-14-12-23)18-7-1-2-8-19(18)22-21(26)16-5-3-6-17(15-16)24(27)28/h2-4,6-7,9-10,12-13,15-18H,5,8,11,14H2,1H3,(H,26,28);3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,26,29);1-4,6-9H,5,10-15H2,(H,22,26);1-3,5-8,15H,4,9-14H2,(H,22,26)
InChIKeyGIZODEISRGGUAZ-UHFFFAOYSA-N
MW1626.84 g/mol
LogP15.61
Rot. Bonds35

About N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide

N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide (PubChem CID 158270743) has the molecular formula C91H100FN9O18 and a molecular weight of 1626.84 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide
PubChem CID158270743
Molecular FormulaC91H100FN9O18
Molecular Weight1626.84 g/mol
Exact Mass1625.72
IUPAC NameN-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCCN2CCOCC2)cc1OC.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCCc2ccccc2)cc1.O=C(CCCN1CCOCC1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C25H25NO3.C24H29FN2O5.2C21H23N3O5/c1-29-21-17-15-20(16-18-21)25(28)26-23-13-7-6-12-22(23)24(27)14-8-5-11-19-9-3-2-4-10-19;1-30-22-15-18(21(28)9-5-6-10-27-11-13-32-14-12-27)20(16-23(22)31-2)26-24(29)17-7-3-4-8-19(17)25;25-20(10-5-11-23-12-14-29-15-13-23)16-6-1-3-8-18(16)22-21(26)17-7-2-4-9-19(17)24(27)28;25-20(9-4-10-23-11-13-29-14-12-23)18-7-1-2-8-19(18)22-21(26)16-5-3-6-17(15-16)24(27)28/h2-4,6-7,9-10,12-13,15-18H,5,8,11,14H2,1H3,(H,26,28);3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,26,29);1-4,6-9H,5,10-15H2,(H,22,26);1-3,5-8,15H,4,9-14H2,(H,22,26)
InChIKeyGIZODEISRGGUAZ-UHFFFAOYSA-N
XLogP15.61
TPSA336.06 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds35
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.84
LogP ≤ 515.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide?
The IUPAC name of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide (CID 158270743) is N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide is COc1cc(NC(=O)c2ccccc2F)c(C(=O)CCCCN2CCOCC2)cc1OC.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCCc2ccccc2)cc1.O=C(CCCN1CCOCC1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide?
The InChIKey is GIZODEISRGGUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3.C24H29FN2O5.2C21H23N3O5/c1-29-21-17-15-20(16-18-21)25(28)26-23-13-7-6-12-22(23)24(27)14-8-5-11-19-9-3-2-4-10-19;1-30-22-15-18(21(28)9-5-6-10-27-11-13-32-14-12-27)20(16-23(22)31-2)26-24(29)17-7-3-4-8-19(17)25;25-20(10-5-11-23-12-14-29-15-13-23)16-6-1-3-8-18(16)22-21(26)17-7-2-4-9-19(17)24(27)28;25-20(9-4-10-23-11-13-29-14-12-23)18-7-1-2-8-19(18)22-21(26)16-5-3-6-17(15-16)24(27)28/h2-4,6-7,9-10,12-13,15-18H,5,8,11,14H2,1H3,(H,26,28);3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,26,29);1-4,6-9H,5,10-15H2,(H,22,26);1-3,5-8,15H,4,9-14H2,(H,22,26).
What are the key properties of N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide?
N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide has a molecular weight of 1626.84 g/mol, XLogP of 15.61, 35 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(5-morpholin-4-ylpentanoyl)phenyl]-2-fluorobenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-2-nitrobenzamide;N-[2-(4-morpholin-4-ylbutanoyl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 158270743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).