N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide

C16H13ClN2O — CID 103769385

IUPACN-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13ClN2O/c1-11-2-7-14(17)15(8-11)19-16(20)9-12-3-5-13(10-18)6-4-12/h2-8H,9H2,1H3,(H,19,20)
InChIKeyKUTVRIDHRHGSNC-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.70
Rot. Bonds3

About N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide

N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide (PubChem CID 103769385) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
PubChem CID103769385
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC NameN-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13ClN2O/c1-11-2-7-14(17)15(8-11)19-16(20)9-12-3-5-13(10-18)6-4-12/h2-8H,9H2,1H3,(H,19,20)
InChIKeyKUTVRIDHRHGSNC-UHFFFAOYSA-N
XLogP3.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 41486884
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide
CID 25239160
N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide
CID 83628932

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide (CID 103769385) is N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide is Cc1ccc(Cl)c(NC(=O)Cc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide?
The InChIKey is KUTVRIDHRHGSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-2-7-14(17)15(8-11)19-16(20)9-12-3-5-13(10-18)6-4-12/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide?
N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide has a molecular weight of 284.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide is sourced from PubChem (CID 103769385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).