N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide

C15H12ClN3O — CID 63194249

IUPACN-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N)cc2C#N)cc1Cl
InChIInChI=1S/C15H12ClN3O/c1-9-2-3-10(7-13(9)16)15(20)19-14-5-4-12(18)6-11(14)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyHWIQOAOMHLDEAB-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.35
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide

N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide (PubChem CID 63194249) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
PubChem CID63194249
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC NameN-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N)cc2C#N)cc1Cl
InChIInChI=1S/C15H12ClN3O/c1-9-2-3-10(7-13(9)16)15(20)19-14-5-4-12(18)6-11(14)8-17/h2-7H,18H2,1H3,(H,19,20)
InChIKeyHWIQOAOMHLDEAB-UHFFFAOYSA-N
XLogP3.35
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
CID 63194298
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(4-amino-2-chlorophenyl)-3-bromo-4-methylbenzamide
CID 81470767
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
CID 114818637
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide
CID 81290329
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide
CID 43548914

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide (CID 63194249) is N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(N)cc2C#N)cc1Cl.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide?
The InChIKey is HWIQOAOMHLDEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-2-3-10(7-13(9)16)15(20)19-14-5-4-12(18)6-11(14)8-17/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide?
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide has a molecular weight of 285.73 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide is sourced from PubChem (CID 63194249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).