(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide

C16H16ClN3O4 — CID 7830357

IUPAC(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide
SMILESCOc1cccc(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C16H16ClN3O4/c1-10(18-11-4-3-5-13(8-11)24-2)16(21)19-15-9-12(20(22)23)6-7-14(15)17/h3-10,18H,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyCGLQJZGTXNGVBC-SNVBAGLBSA-N
MW349.77 g/mol
LogP3.70
Rot. Bonds6

About (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide

(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide (PubChem CID 7830357) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide
PubChem CID7830357
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide
SMILESCOc1cccc(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C16H16ClN3O4/c1-10(18-11-4-3-5-13(8-11)24-2)16(21)19-15-9-12(20(22)23)6-7-14(15)17/h3-10,18H,1-2H3,(H,19,21)/t10-/m1/s1
InChIKeyCGLQJZGTXNGVBC-SNVBAGLBSA-N
XLogP3.70
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-acetylanilino)-N-(2-chloro-5-nitrophenyl)propanamide
CID 25340293
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
CID 108513447
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 7986614
2-bromo-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-3-oxopropanamide
CID 20660513
N-(2-chloro-5-nitrophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 51168198
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381
(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 9274223
2-(3-chloro-4-methylanilino)-N-(3-nitrophenyl)propanamide
CID 46799452
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 92678067
N-[4-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351370
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 7865797

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide?
The IUPAC name of (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide (CID 7830357) is (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide.
What is the SMILES notation for (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide?
The canonical SMILES for (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide is COc1cccc(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1.
What is the InChIKey of (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide?
The InChIKey is CGLQJZGTXNGVBC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-10(18-11-4-3-5-13(8-11)24-2)16(21)19-15-9-12(20(22)23)6-7-14(15)17/h3-10,18H,1-2H3,(H,19,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide?
(2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide has a molecular weight of 349.77 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-5-nitrophenyl)-2-(3-methoxyanilino)propanamide is sourced from PubChem (CID 7830357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).