N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide

C22H21N3O4 — CID 60536198

IUPACN-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1CNc1cc(NC(=O)c2ccccc2)ccc1C
InChIInChI=1S/C22H21N3O4/c1-15-8-9-18(24-22(26)16-6-4-3-5-7-16)13-20(15)23-14-17-12-19(25(27)28)10-11-21(17)29-2/h3-13,23H,14H2,1-2H3,(H,24,26)
InChIKeyNGKXGYUSXKLCDI-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.78
Rot. Bonds7

About N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide

N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide (PubChem CID 60536198) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide
PubChem CID60536198
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1CNc1cc(NC(=O)c2ccccc2)ccc1C
InChIInChI=1S/C22H21N3O4/c1-15-8-9-18(24-22(26)16-6-4-3-5-7-16)13-20(15)23-14-17-12-19(25(27)28)10-11-21(17)29-2/h3-13,23H,14H2,1-2H3,(H,24,26)
InChIKeyNGKXGYUSXKLCDI-UHFFFAOYSA-N
XLogP4.78
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.78
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-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide 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-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
CID 18266904
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-[(2-methoxy-5-nitrophenyl)methyl]-3,5-dimethylaniline
CID 43212565
4-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylaniline
CID 43212586
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
CID 3697987
N-[4-methyl-3-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 55897358
5-methoxy-2-[(2-methyl-5-nitroanilino)methyl]phenol
CID 61261387

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide?
The IUPAC name of N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide (CID 60536198) is N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide?
The canonical SMILES for N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide is COc1ccc([N+](=O)[O-])cc1CNc1cc(NC(=O)c2ccccc2)ccc1C.
What is the InChIKey of N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide?
The InChIKey is NGKXGYUSXKLCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-8-9-18(24-22(26)16-6-4-3-5-7-16)13-20(15)23-14-17-12-19(25(27)28)10-11-21(17)29-2/h3-13,23H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide?
N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide has a molecular weight of 391.43 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide is sourced from PubChem (CID 60536198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).