N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide

C23H25ClN2O2 — CID 71000241

IUPACN-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide
SMILESCCc1ccc(CC(O)(C(=O)Nc2ccc(C#N)c(Cl)c2)C2CCCC2)cc1
InChIInChI=1S/C23H25ClN2O2/c1-2-16-7-9-17(10-8-16)14-23(28,19-5-3-4-6-19)22(27)26-20-12-11-18(15-25)21(24)13-20/h7-13,19,28H,2-6,14H2,1H3,(H,26,27)
InChIKeyRHXNFIDHJXNKKE-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.88
Rot. Bonds6

About N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide

N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide (PubChem CID 71000241) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide
PubChem CID71000241
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide
SMILESCCc1ccc(CC(O)(C(=O)Nc2ccc(C#N)c(Cl)c2)C2CCCC2)cc1
InChIInChI=1S/C23H25ClN2O2/c1-2-16-7-9-17(10-8-16)14-23(28,19-5-3-4-6-19)22(27)26-20-12-11-18(15-25)21(24)13-20/h7-13,19,28H,2-6,14H2,1H3,(H,26,27)
InChIKeyRHXNFIDHJXNKKE-UHFFFAOYSA-N
XLogP4.88
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199456
N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-2-hydroxy-4-(4-hydroxyphenyl)but-3-ynamide
CID 42642184
4-[1-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxylic acid
CID 69069928
CID 143819608
CID 143819608
N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
CID 9265066
N-(3-chloro-4-cyanophenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877420
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-cyclohexyl-3-[3-(4-dimethylsulfinamoylphenyl)phenyl]-2-hydroxypropanamide
CID 143819653
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
2-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402252
1-(3-chloro-4-cyanophenyl)-3-ethylurea
CID 115569840
N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
CID 47197599

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide (CID 71000241) is N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide is CCc1ccc(CC(O)(C(=O)Nc2ccc(C#N)c(Cl)c2)C2CCCC2)cc1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide?
The InChIKey is RHXNFIDHJXNKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-2-16-7-9-17(10-8-16)14-23(28,19-5-3-4-6-19)22(27)26-20-12-11-18(15-25)21(24)13-20/h7-13,19,28H,2-6,14H2,1H3,(H,26,27).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide?
N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide has a molecular weight of 396.92 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-cyclopentyl-3-(4-ethylphenyl)-2-hydroxypropanamide is sourced from PubChem (CID 71000241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).