N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide

C16H21ClN2O3 — CID 124589488

IUPACN-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESC[C@H](CC(=O)Nc1ccc(Cl)cc1O)NC(=O)C1CCCC1
InChIInChI=1S/C16H21ClN2O3/c1-10(18-16(22)11-4-2-3-5-11)8-15(21)19-13-7-6-12(17)9-14(13)20/h6-7,9-11,20H,2-5,8H2,1H3,(H,18,22)(H,19,21)/t10-/m1/s1
InChIKeyYRZKACSDIUMGHX-SNVBAGLBSA-N
MW324.81 g/mol
LogP3.07
Rot. Bonds5

About N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 124589488) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID124589488
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESC[C@H](CC(=O)Nc1ccc(Cl)cc1O)NC(=O)C1CCCC1
InChIInChI=1S/C16H21ClN2O3/c1-10(18-16(22)11-4-2-3-5-11)8-15(21)19-13-7-6-12(17)9-14(13)20/h6-7,9-11,20H,2-5,8H2,1H3,(H,18,22)(H,19,21)/t10-/m1/s1
InChIKeyYRZKACSDIUMGHX-SNVBAGLBSA-N
XLogP3.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
CID 120873520
N-[4-[4-(2-hydroxyethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 75425431
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide
CID 75523798
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224629
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
CID 95909610
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 124589488) is N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide is C[C@H](CC(=O)Nc1ccc(Cl)cc1O)NC(=O)C1CCCC1.
What is the InChIKey of N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is YRZKACSDIUMGHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-10(18-16(22)11-4-2-3-5-11)8-15(21)19-13-7-6-12(17)9-14(13)20/h6-7,9-11,20H,2-5,8H2,1H3,(H,18,22)(H,19,21)/t10-/m1/s1.
What are the key properties of N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 324.81 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(4-chloro-2-hydroxyanilino)-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 124589488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).