N-(2-amino-6-chlorophenyl)-2-methylbenzamide

C14H13ClN2O — CID 62084781

IUPACN-(2-amino-6-chlorophenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C14H13ClN2O/c1-9-5-2-3-6-10(9)14(18)17-13-11(15)7-4-8-12(13)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyKDHUAQAWZJNNFU-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.48
Rot. Bonds2

About N-(2-amino-6-chlorophenyl)-2-methylbenzamide

N-(2-amino-6-chlorophenyl)-2-methylbenzamide (PubChem CID 62084781) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-2-methylbenzamide
PubChem CID62084781
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-(2-amino-6-chlorophenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C14H13ClN2O/c1-9-5-2-3-6-10(9)14(18)17-13-11(15)7-4-8-12(13)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyKDHUAQAWZJNNFU-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82827421
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045
N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55032492
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide
CID 66251998
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724
N-(2-amino-6-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81314667
N-(2-amino-6-methylphenyl)-2,4-dimethylbenzamide
CID 43330062
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-2-methylbenzamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-2-methylbenzamide (CID 62084781) is N-(2-amino-6-chlorophenyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-2-methylbenzamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1c(N)cccc1Cl.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-2-methylbenzamide?
The InChIKey is KDHUAQAWZJNNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-5-2-3-6-10(9)14(18)17-13-11(15)7-4-8-12(13)16/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-6-chlorophenyl)-2-methylbenzamide?
N-(2-amino-6-chlorophenyl)-2-methylbenzamide has a molecular weight of 260.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-2-methylbenzamide is sourced from PubChem (CID 62084781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).