N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide

C22H19N3O5 — CID 55778948

IUPACN-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H19N3O5/c1-30-19-13-12-16(14-18(19)25(28)29)21(26)24-20(15-8-4-2-5-9-15)22(27)23-17-10-6-3-7-11-17/h2-14,20H,1H3,(H,23,27)(H,24,26)
InChIKeyGVCRAWZDMINUOZ-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.71
Rot. Bonds7

About N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide

N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide (PubChem CID 55778948) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide
PubChem CID55778948
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC NameN-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C22H19N3O5/c1-30-19-13-12-16(14-18(19)25(28)29)21(26)24-20(15-8-4-2-5-9-15)22(27)23-17-10-6-3-7-11-17/h2-14,20H,1H3,(H,23,27)(H,24,26)
InChIKeyGVCRAWZDMINUOZ-UHFFFAOYSA-N
XLogP3.71
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.71
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'}

Analyze N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55779332
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 2908679
3-methoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]propanoic acid
CID 81084501
4-methoxy-N-[(1S)-1-naphthalen-2-ylethyl]-3-nitrobenzamide
CID 7733620
methyl (2R)-2-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylbutanoate
CID 40818518
N-[4-[(2S)-butan-2-yl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7303730
(4-methoxy-3-nitrobenzoyl)carbamic acid;hydrochloride
CID 70634064
2-[4-[(4-methoxy-3-nitrobenzoyl)amino]phenyl]acetic acid
CID 891508
N-[(2S)-1-anilino-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide
CID 9138292
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 7696865
3,4-dimethoxy-5-nitro-N-phenylbenzamide
CID 19743065

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide (CID 55778948) is N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is GVCRAWZDMINUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-30-19-13-12-16(14-18(19)25(28)29)21(26)24-20(15-8-4-2-5-9-15)22(27)23-17-10-6-3-7-11-17/h2-14,20H,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide?
N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 405.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 55778948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).