2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide

C15H18ClN3O — CID 43168430

IUPAC2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide
SMILESCC(Nc1ccc(C#N)c(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H18ClN3O/c1-10(15(20)19-12-4-2-3-5-12)18-13-7-6-11(9-17)14(16)8-13/h6-8,10,12,18H,2-5H2,1H3,(H,19,20)
InChIKeyNZVRXMMGFVZTGD-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.07
Rot. Bonds4

About 2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide

2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide (PubChem CID 43168430) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide
PubChem CID43168430
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide
SMILESCC(Nc1ccc(C#N)c(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H18ClN3O/c1-10(15(20)19-12-4-2-3-5-12)18-13-7-6-11(9-17)14(16)8-13/h6-8,10,12,18H,2-5H2,1H3,(H,19,20)
InChIKeyNZVRXMMGFVZTGD-UHFFFAOYSA-N
XLogP3.07
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
CID 78907261
2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
CID 107276659
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-chlorobenzonitrile
CID 43348090
2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
CID 93300791
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
(2S)-N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)propanamide
CID 67012255
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578
N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
CID 9265066

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide?
The IUPAC name of 2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide (CID 43168430) is 2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide is CC(Nc1ccc(C#N)c(Cl)c1)C(=O)NC1CCCC1.
What is the InChIKey of 2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide?
The InChIKey is NZVRXMMGFVZTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(15(20)19-12-4-2-3-5-12)18-13-7-6-11(9-17)14(16)8-13/h6-8,10,12,18H,2-5H2,1H3,(H,19,20).
What are the key properties of 2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide?
2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide has a molecular weight of 291.78 g/mol, XLogP of 3.07, 4 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-cyclopentylpropanamide is sourced from PubChem (CID 43168430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).