2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide

C16H13ClN2O2 — CID 107468148

IUPAC2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
SMILESCOc1cccc(C#N)c1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-21-14-7-3-5-12(10-18)16(14)19-15(20)9-11-4-2-6-13(17)8-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyAMSCCXHEQRSUGU-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.40
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide

2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide (PubChem CID 107468148) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
PubChem CID107468148
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
SMILESCOc1cccc(C#N)c1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-21-14-7-3-5-12(10-18)16(14)19-15(20)9-11-4-2-6-13(17)8-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyAMSCCXHEQRSUGU-UHFFFAOYSA-N
XLogP3.40
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
CID 107468127
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181
2-chloro-N-(2-cyano-6-methoxyphenyl)-5-sulfanylbenzamide
CID 107469989
2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107467856
N-(2-cyano-6-methoxyphenyl)-2-phenylsulfanylacetamide
CID 107467897
N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 107467761
1-(2-chlorophenyl)-3-(2-cyano-6-methoxyphenyl)urea
CID 107468189
N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
CID 104880434
N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922593
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide (CID 107468148) is 2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide is COc1cccc(C#N)c1NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide?
The InChIKey is AMSCCXHEQRSUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-21-14-7-3-5-12(10-18)16(14)19-15(20)9-11-4-2-6-13(17)8-11/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide?
2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide has a molecular weight of 300.75 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide is sourced from PubChem (CID 107468148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).