3-amino-4-[(2-methoxyphenyl)methylamino]benzamide

C15H17N3O2 — CID 43448336

IUPAC3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccccc1CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H17N3O2/c1-20-14-5-3-2-4-11(14)9-18-13-7-6-10(15(17)19)8-12(13)16/h2-8,18H,9,16H2,1H3,(H2,17,19)
InChIKeyOZZHBPJLKKVHOY-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.99
Rot. Bonds5

About 3-amino-4-[(2-methoxyphenyl)methylamino]benzamide

3-amino-4-[(2-methoxyphenyl)methylamino]benzamide (PubChem CID 43448336) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-4-[(2-methoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
PubChem CID43448336
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccccc1CNc1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H17N3O2/c1-20-14-5-3-2-4-11(14)9-18-13-7-6-10(15(17)19)8-12(13)16/h2-8,18H,9,16H2,1H3,(H2,17,19)
InChIKeyOZZHBPJLKKVHOY-UHFFFAOYSA-N
XLogP1.99
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
methyl 4-amino-3-[(2-methoxyphenyl)methylamino]benzoate
CID 82775514
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
3-amino-4-(ethylamino)benzamide
CID 43448330
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
CID 82535518
5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803
2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343041
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
3-amino-4-(3,4-dimethoxyanilino)benzamide
CID 43448410

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-methoxyphenyl)methylamino]benzamide?
The IUPAC name of 3-amino-4-[(2-methoxyphenyl)methylamino]benzamide (CID 43448336) is 3-amino-4-[(2-methoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 3-amino-4-[(2-methoxyphenyl)methylamino]benzamide?
The canonical SMILES for 3-amino-4-[(2-methoxyphenyl)methylamino]benzamide is COc1ccccc1CNc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(2-methoxyphenyl)methylamino]benzamide?
The InChIKey is OZZHBPJLKKVHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-5-3-2-4-11(14)9-18-13-7-6-10(15(17)19)8-12(13)16/h2-8,18H,9,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-4-[(2-methoxyphenyl)methylamino]benzamide?
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-methoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 43448336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).