2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide

C14H13ClN4O2 — CID 62058536

IUPAC2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
SMILESNC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2N)c1
InChIInChI=1S/C14H13ClN4O2/c15-8-4-5-11(12(16)6-8)13(20)18-9-2-1-3-10(7-9)19-14(17)21/h1-7H,16H2,(H,18,20)(H3,17,19,21)
InChIKeyNOIOPQUVLQBPDP-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.67
Rot. Bonds3

About 2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide

2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide (PubChem CID 62058536) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
PubChem CID62058536
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
SMILESNC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2N)c1
InChIInChI=1S/C14H13ClN4O2/c15-8-4-5-11(12(16)6-8)13(20)18-9-2-1-3-10(7-9)19-14(17)21/h1-7H,16H2,(H,18,20)(H3,17,19,21)
InChIKeyNOIOPQUVLQBPDP-UHFFFAOYSA-N
XLogP2.67
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
[3-(chloroamino)phenyl]urea
CID 155328094
2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997
N-[3-(carbamoylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 62513164
2-amino-4-chloro-N-(4-ethylphenyl)benzamide
CID 28605488
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2-amino-4-chloro-N-(1,2-oxazol-4-yl)benzamide
CID 62902220

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide?
The IUPAC name of 2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide (CID 62058536) is 2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide.
What is the SMILES notation for 2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide?
The canonical SMILES for 2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide is NC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2N)c1.
What is the InChIKey of 2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide?
The InChIKey is NOIOPQUVLQBPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-8-4-5-11(12(16)6-8)13(20)18-9-2-1-3-10(7-9)19-14(17)21/h1-7H,16H2,(H,18,20)(H3,17,19,21).
What are the key properties of 2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide?
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide has a molecular weight of 304.74 g/mol, XLogP of 2.67, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide is sourced from PubChem (CID 62058536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).