4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide

C20H17N3O4 — CID 25175303

IUPAC4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide
SMILESCOc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H17N3O4/c1-27-17-9-5-8-16(13-17)22-20(24)14-10-11-18(19(12-14)23(25)26)21-15-6-3-2-4-7-15/h2-13,21H,1H3,(H,22,24)
InChIKeyVSFOJCIEYOEYDX-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.60
Rot. Bonds6

About 4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide

4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide (PubChem CID 25175303) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide
PubChem CID25175303
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide
SMILESCOc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H17N3O4/c1-27-17-9-5-8-16(13-17)22-20(24)14-10-11-18(19(12-14)23(25)26)21-15-6-3-2-4-7-15/h2-13,21H,1H3,(H,22,24)
InChIKeyVSFOJCIEYOEYDX-UHFFFAOYSA-N
XLogP4.60
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.60
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

N-(4-methoxy-2-nitrophenyl)benzamide
CID 274249
Benzamide, N-(2-(diethylamino)ethyl)-4-(dimethylamino)-2-methoxy-5-nitro-, monohydrochloride
CID 2829605
N,N'-Bis(3-methoxyphenyl)terephthalamide
CID 248372
N-(2,5-Dimethoxyphenyl)-4-nitrobenzamide
CID 532160
4-[(2-Methoxyphenyl)amino]-3-nitrobenzoic acid
CID 7067128
3-((4-Nitrobenzoyl)amino)phenyl 4-nitrobenzoate
CID 1718507
4-{[3-(3,5-dimethylpiperidin-1-yl)propyl]amino}-N-(3-methoxyphenyl)-3-nitrobenzamide
CID 16194189
N1,N3-bis(3-methoxyphenyl)isophthalamide
CID 138884
N-(3-methoxyphenyl)-3-(4-nitrophenyl)-3-oxopropanamide
CID 829367
3-[(3-Methoxyphenyl)amino]-1-(3-nitrophenyl)-1-propanone
CID 877418
4-methoxy-N-{2-[(2-nitrophenyl)amino]ethyl}benzamide
CID 2957272
N-(4-anilinophenyl)-4-methoxy-3-nitrobenzamide
CID 3256817

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide?
The IUPAC name of 4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide (CID 25175303) is 4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide is COc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide?
The InChIKey is VSFOJCIEYOEYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-17-9-5-8-16(13-17)22-20(24)14-10-11-18(19(12-14)23(25)26)21-15-6-3-2-4-7-15/h2-13,21H,1H3,(H,22,24).
What are the key properties of 4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide?
4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide has a molecular weight of 363.37 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-(3-methoxyphenyl)-3-nitrobenzamide is sourced from PubChem (CID 25175303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).