methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate

C15H15N3O3 — CID 61213394

IUPACmethyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)18-11-8-6-10(7-9-11)17-14(19)12-4-2-3-5-13(12)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyDRYMIAOKXVMZMM-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.70
Rot. Bonds3

About methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate

methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate (PubChem CID 61213394) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
PubChem CID61213394
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)18-11-8-6-10(7-9-11)17-14(19)12-4-2-3-5-13(12)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyDRYMIAOKXVMZMM-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

2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-amino-N-(4-pyrrol-1-ylphenyl)benzamide
CID 110474388
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
methyl N-(4-amino-3-bromophenyl)carbamate
CID 82861669
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
2-amino-N-pyrimidin-5-ylbenzamide
CID 107587397
tert-butyl N-[4-[(2-aminobenzoyl)amino]-3-(trifluoromethyl)phenyl]carbamate
CID 91398764
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate (CID 61213394) is methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)c2ccccc2N)cc1.
What is the InChIKey of methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate?
The InChIKey is DRYMIAOKXVMZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-15(20)18-11-8-6-10(7-9-11)17-14(19)12-4-2-3-5-13(12)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate?
methyl N-[4-[(2-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-[4-[(2-aminobenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 61213394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).