2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide

C16H20ClN3O — CID 64919202

IUPAC2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
SMILESN#Cc1ccc(Cl)cc1NCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H20ClN3O/c17-13-8-7-12(10-18)15(9-13)19-11-16(21)20-14-5-3-1-2-4-6-14/h7-9,14,19H,1-6,11H2,(H,20,21)
InChIKeyKWXWQXCKPFJCTA-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.46
Rot. Bonds4

About 2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide

2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide (PubChem CID 64919202) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
PubChem CID64919202
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
SMILESN#Cc1ccc(Cl)cc1NCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H20ClN3O/c17-13-8-7-12(10-18)15(9-13)19-11-16(21)20-14-5-3-1-2-4-6-14/h7-9,14,19H,1-6,11H2,(H,20,21)
InChIKeyKWXWQXCKPFJCTA-UHFFFAOYSA-N
XLogP3.46
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
N-cyclohexyl-2-(3,4-dicyanoanilino)acetamide
CID 104918996
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
CID 63081915
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
2-(5-cyano-2-methylanilino)-N-cyclohexylacetamide
CID 62059710
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984
4-chloro-2-(2-methylidenebutylamino)benzonitrile
CID 66044755
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide (CID 64919202) is 2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide is N#Cc1ccc(Cl)cc1NCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide?
The InChIKey is KWXWQXCKPFJCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-13-8-7-12(10-18)15(9-13)19-11-16(21)20-14-5-3-1-2-4-6-14/h7-9,14,19H,1-6,11H2,(H,20,21).
What are the key properties of 2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide?
2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide has a molecular weight of 305.81 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 64919202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).