2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide

C15H20ClN3O — CID 43348095

IUPAC2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-4-5-10(2)18-15(20)11(3)19-13-7-6-12(9-17)14(16)8-13/h6-8,10-11,19H,4-5H2,1-3H3,(H,18,20)
InChIKeyRFLJANSVFWHCMR-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.32
Rot. Bonds6

About 2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide

2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide (PubChem CID 43348095) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
PubChem CID43348095
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-4-5-10(2)18-15(20)11(3)19-13-7-6-12(9-17)14(16)8-13/h6-8,10-11,19H,4-5H2,1-3H3,(H,18,20)
InChIKeyRFLJANSVFWHCMR-UHFFFAOYSA-N
XLogP3.32
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43113543
2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide
CID 43168430
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylpropanamide
CID 107798096
2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide
CID 107789169
N-butan-2-yl-2-(5-chloro-2-cyanoanilino)propanamide
CID 64920481
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-chlorobenzonitrile
CID 43348090
(3S)-3-(3-chloro-4-cyanoanilino)-4-(propan-2-ylamino)butanoic acid
CID 59516277
2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
CID 43617104
2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile
CID 94473129
2-chloro-4-(4-ethylsulfanylbutan-2-ylamino)benzonitrile
CID 115744740
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide
CID 43123138

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide (CID 43348095) is 2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide?
The InChIKey is RFLJANSVFWHCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-5-10(2)18-15(20)11(3)19-13-7-6-12(9-17)14(16)8-13/h6-8,10-11,19H,4-5H2,1-3H3,(H,18,20).
What are the key properties of 2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide?
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide has a molecular weight of 293.80 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43348095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).