methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate

C15H15N3O3 — CID 60927753

IUPACmethyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)18-13-7-3-6-12(9-13)17-14(19)10-4-2-5-11(16)8-10/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyMJHLNHXXCPHCHU-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.70
Rot. Bonds3

About methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate

methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate (PubChem CID 60927753) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
PubChem CID60927753
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)18-13-7-3-6-12(9-13)17-14(19)10-4-2-5-11(16)8-10/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyMJHLNHXXCPHCHU-UHFFFAOYSA-N
XLogP2.70
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.70
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

3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
methyl N-[3-[(2-bromopyridine-4-carbonyl)amino]phenyl]carbamate
CID 103752502
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720
4-amino-N-[3-[(3-aminobenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 135301189
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
N-(4-acetamido-3-methylphenyl)-3-aminobenzamide
CID 43698803
3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride
CID 119814644
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate (CID 60927753) is methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)c2cccc(N)c2)c1.
What is the InChIKey of methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate?
The InChIKey is MJHLNHXXCPHCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-15(20)18-13-7-3-6-12(9-13)17-14(19)10-4-2-5-11(16)8-10/h2-9H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate?
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate has a molecular weight of 285.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 60927753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).