2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide

C13H16ClN3O — CID 64917926

IUPAC2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H16ClN3O/c1-8(2)16-13(18)9(3)17-12-6-11(14)5-4-10(12)7-15/h4-6,8-9,17H,1-3H3,(H,16,18)
InChIKeyJQUOJPRABYTQAW-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.54
Rot. Bonds4

About 2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide

2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide (PubChem CID 64917926) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide
PubChem CID64917926
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H16ClN3O/c1-8(2)16-13(18)9(3)17-12-6-11(14)5-4-10(12)7-15/h4-6,8-9,17H,1-3H3,(H,16,18)
InChIKeyJQUOJPRABYTQAW-UHFFFAOYSA-N
XLogP2.54
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide
CID 64920481
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
2-(4-chloro-2-cyanoanilino)-N-ethylpropanamide
CID 62494182
(2S)-2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbutanamide
CID 61156530
(2S)-2-[(5-chloro-2-cyanophenyl)carbamoylamino]-3-methylbutanoic acid
CID 64918726
2-[(5-chloro-2-cyanophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 64917691
2-(5-bromo-2-cyanoanilino)-N-pentan-3-ylpropanamide
CID 107798095
4-chloro-2-(1-cyclopentylethylamino)benzonitrile
CID 62632984
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylpropanamide
CID 107798096
4-chloro-2-(pentan-2-ylamino)benzonitrile
CID 43681604
2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113408047
N-(5-chloro-2-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 54920661

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide (CID 64917926) is 2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of 2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide?
The InChIKey is JQUOJPRABYTQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8(2)16-13(18)9(3)17-12-6-11(14)5-4-10(12)7-15/h4-6,8-9,17H,1-3H3,(H,16,18).
What are the key properties of 2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide?
2-(5-chloro-2-cyanoanilino)-N-propan-2-ylpropanamide has a molecular weight of 265.74 g/mol, XLogP of 2.54, 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-propan-2-ylpropanamide is sourced from PubChem (CID 64917926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).