3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide

C14H14ClN3O — CID 61093328

IUPAC3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H14ClN3O/c1-8-4-10(15)2-3-13(8)18-14(19)9-5-11(16)7-12(17)6-9/h2-7H,16-17H2,1H3,(H,18,19)
InChIKeyLKTIMKMJQNPQCM-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.07
Rot. Bonds2

About 3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide

3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide (PubChem CID 61093328) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
PubChem CID61093328
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H14ClN3O/c1-8-4-10(15)2-3-13(8)18-14(19)9-5-11(16)7-12(17)6-9/h2-7H,16-17H2,1H3,(H,18,19)
InChIKeyLKTIMKMJQNPQCM-UHFFFAOYSA-N
XLogP3.07
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
CID 61111533
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295
N-(4-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333226
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-chloro-2-methylphenyl)-4-methyl-3,5-dinitrobenzamide
CID 19174941
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide
CID 82546496

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide?
The IUPAC name of 3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide (CID 61093328) is 3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide is Cc1cc(Cl)ccc1NC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide?
The InChIKey is LKTIMKMJQNPQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-4-10(15)2-3-13(8)18-14(19)9-5-11(16)7-12(17)6-9/h2-7H,16-17H2,1H3,(H,18,19).
What are the key properties of 3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide?
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide has a molecular weight of 275.74 g/mol, XLogP of 3.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 61093328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).