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

C16H13ClN2O — CID 60645682

IUPACN-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C16H13ClN2O/c1-11-4-2-3-5-12(11)8-16(20)19-15-9-14(17)7-6-13(15)10-18/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyATDJQXSLQQZBEG-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.70
Rot. Bonds3

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

N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide (PubChem CID 60645682) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
PubChem CID60645682
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C16H13ClN2O/c1-11-4-2-3-5-12(11)8-16(20)19-15-9-14(17)7-6-13(15)10-18/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyATDJQXSLQQZBEG-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-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 60537508
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 79955008
N-(3-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 62315790
N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107031090
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684093
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131592
N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 134025568

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide (CID 60645682) is N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide?
The InChIKey is ATDJQXSLQQZBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-4-2-3-5-12(11)8-16(20)19-15-9-14(17)7-6-13(15)10-18/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide?
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)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-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 60645682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).