N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide

C19H20N4O5 — CID 18084314

IUPACN-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1
InChIInChI=1S/C19H20N4O5/c1-20-18(24)13-3-2-4-14(11-13)21-19(25)16-12-15(23(26)27)5-6-17(16)22-7-9-28-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,20,24)(H,21,25)
InChIKeyFRPRFRRBEIAILY-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.04
Rot. Bonds5

About N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide

N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 18084314) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID18084314
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1
InChIInChI=1S/C19H20N4O5/c1-20-18(24)13-3-2-4-14(11-13)21-19(25)16-12-15(23(26)27)5-6-17(16)22-7-9-28-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,20,24)(H,21,25)
InChIKeyFRPRFRRBEIAILY-UHFFFAOYSA-N
XLogP2.04
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethynylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 31036555
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 51150163
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
N-(4-bromo-3-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22777311
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095276
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23100233
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 4028000
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitrobenzamide
CID 2948692
N-[3-(dimethylcarbamoyl)phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 55529341

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide (CID 18084314) is N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide is CNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1.
What is the InChIKey of N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is FRPRFRRBEIAILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-20-18(24)13-3-2-4-14(11-13)21-19(25)16-12-15(23(26)27)5-6-17(16)22-7-9-28-10-8-22/h2-6,11-12H,7-10H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide?
N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 384.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 18084314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).