N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide

C18H18ClN3O5 — CID 1123640

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H18ClN3O5/c19-14-11-13(5-6-15(14)21-7-9-26-10-8-21)20-18(23)12-27-17-4-2-1-3-16(17)22(24)25/h1-6,11H,7-10,12H2,(H,20,23)
InChIKeyAROCIECMHBBIQN-UHFFFAOYSA-N
MW391.81 g/mol
LogP3.10
Rot. Bonds6

About N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 1123640) has the molecular formula C18H18ClN3O5 and a molecular weight of 391.81 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID1123640
Molecular FormulaC18H18ClN3O5
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H18ClN3O5/c19-14-11-13(5-6-15(14)21-7-9-26-10-8-21)20-18(23)12-27-17-4-2-1-3-16(17)22(24)25/h1-6,11H,7-10,12H2,(H,20,23)
InChIKeyAROCIECMHBBIQN-UHFFFAOYSA-N
XLogP3.10
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
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-[4-(morpholin-4-ylmethyl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2192908
2-(2-nitrophenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
CID 28689240
N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide
CID 31815932
2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127202
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189
2-(4-methoxyphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127200
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1123641
N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1244911
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1266149

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide (CID 1123640) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is AROCIECMHBBIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5/c19-14-11-13(5-6-15(14)21-7-9-26-10-8-21)20-18(23)12-27-17-4-2-1-3-16(17)22(24)25/h1-6,11H,7-10,12H2,(H,20,23).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 391.81 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 1123640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).