N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide

C12H13ClN2O2 — CID 115188142

IUPACN-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide
SMILESCCC(C#N)C(=O)Nc1ccc(OC)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-3-8(7-14)12(16)15-11-5-4-9(17-2)6-10(11)13/h4-6,8H,3H2,1-2H3,(H,15,16)
InChIKeyUCHDIXBQYUGSCJ-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.84
Rot. Bonds4

About N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide

N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide (PubChem CID 115188142) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide
PubChem CID115188142
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide
SMILESCCC(C#N)C(=O)Nc1ccc(OC)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-3-8(7-14)12(16)15-11-5-4-9(17-2)6-10(11)13/h4-6,8H,3H2,1-2H3,(H,15,16)
InChIKeyUCHDIXBQYUGSCJ-UHFFFAOYSA-N
XLogP2.84
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide
CID 115188135
N-(4-chloro-2-methylphenyl)-2-cyanobutanamide
CID 55207021
2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide
CID 115188138
2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide
CID 86857995
N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide
CID 107808316
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71867206
2-cyano-N-(2-cyano-4-fluorophenyl)butanamide
CID 82015517
2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 114009269
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide (CID 115188142) is N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide is CCC(C#N)C(=O)Nc1ccc(OC)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide?
The InChIKey is UCHDIXBQYUGSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-3-8(7-14)12(16)15-11-5-4-9(17-2)6-10(11)13/h4-6,8H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide?
N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide has a molecular weight of 252.70 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide is sourced from PubChem (CID 115188142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).