2-(2-chloro-4-cyanoanilino)butanamide

C11H12ClN3O — CID 107807872

IUPAC2-(2-chloro-4-cyanoanilino)butanamide
SMILESCCC(Nc1ccc(C#N)cc1Cl)C(N)=O
InChIInChI=1S/C11H12ClN3O/c1-2-9(11(14)16)15-10-4-3-7(6-13)5-8(10)12/h3-5,9,15H,2H2,1H3,(H2,14,16)
InChIKeyCAPPAROZEUJLJJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.89
Rot. Bonds4

About 2-(2-chloro-4-cyanoanilino)butanamide

2-(2-chloro-4-cyanoanilino)butanamide (PubChem CID 107807872) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanoanilino)butanamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanoanilino)butanamide
PubChem CID107807872
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(2-chloro-4-cyanoanilino)butanamide
SMILESCCC(Nc1ccc(C#N)cc1Cl)C(N)=O
InChIInChI=1S/C11H12ClN3O/c1-2-9(11(14)16)15-10-4-3-7(6-13)5-8(10)12/h3-5,9,15H,2H2,1H3,(H2,14,16)
InChIKeyCAPPAROZEUJLJJ-UHFFFAOYSA-N
XLogP1.89
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-cyanoanilino)-3-methylbutanamide
CID 106345598
2-(2,4,5-trichloroanilino)butanamide
CID 62901359
2-(4-chloro-2-iodoanilino)butanamide
CID 107635331
(2S)-2-amino-N-(2-chloro-4-cyanophenyl)-3-methylpentanamide
CID 107808073
methyl 3-(2-chloro-4-cyanoanilino)butanoate
CID 107807819
methyl 3-(2-chloro-4-cyanoanilino)-2-methylpropanoate
CID 114003421
2-(2-chloro-5-cyanoanilino)pentanoic acid
CID 83041858
2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
CID 114003459
3-chloro-4-(hex-1-yn-3-ylamino)benzonitrile
CID 106230863
N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide
CID 107808316
ethyl 2-(2-chloro-4-methylanilino)butanoate
CID 64667154
3-chloro-4-(4-hydroxybutan-2-ylamino)benzonitrile
CID 83176852

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanoanilino)butanamide?
The IUPAC name of 2-(2-chloro-4-cyanoanilino)butanamide (CID 107807872) is 2-(2-chloro-4-cyanoanilino)butanamide.
What is the SMILES notation for 2-(2-chloro-4-cyanoanilino)butanamide?
The canonical SMILES for 2-(2-chloro-4-cyanoanilino)butanamide is CCC(Nc1ccc(C#N)cc1Cl)C(N)=O.
What is the InChIKey of 2-(2-chloro-4-cyanoanilino)butanamide?
The InChIKey is CAPPAROZEUJLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-9(11(14)16)15-10-4-3-7(6-13)5-8(10)12/h3-5,9,15H,2H2,1H3,(H2,14,16).
What are the key properties of 2-(2-chloro-4-cyanoanilino)butanamide?
2-(2-chloro-4-cyanoanilino)butanamide has a molecular weight of 237.69 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanoanilino)butanamide is sourced from PubChem (CID 107807872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).