N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide

C21H24ClNO2 — CID 140999569

IUPACN-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide
SMILESO=C(NC(Cl)Cc1ccc(C2CCC(O)CC2)cc1)c1ccccc1
InChIInChI=1S/C21H24ClNO2/c22-20(23-21(25)18-4-2-1-3-5-18)14-15-6-8-16(9-7-15)17-10-12-19(24)13-11-17/h1-9,17,19-20,24H,10-14H2,(H,23,25)
InChIKeyPPPZMBZIITZFTI-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.24
Rot. Bonds5

About N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide

N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide (PubChem CID 140999569) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide
PubChem CID140999569
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC NameN-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide
SMILESO=C(NC(Cl)Cc1ccc(C2CCC(O)CC2)cc1)c1ccccc1
InChIInChI=1S/C21H24ClNO2/c22-20(23-21(25)18-4-2-1-3-5-18)14-15-6-8-16(9-7-15)17-10-12-19(24)13-11-17/h1-9,17,19-20,24H,10-14H2,(H,23,25)
InChIKeyPPPZMBZIITZFTI-UHFFFAOYSA-N
XLogP4.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,5S)2-(4-Glutaridylbenzyl)-5-phenyl-1-cyclohexanol
CID 444394
3,5-dichloro-N-((trans-2-(1-hydroxy-3-phenylpropyl)cyclopentyl)methyl)benzamide
CID 44408933
3-chloro-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 56764290
4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 56764297
N-(2-cyclohexyl-2-hydroxyethyl)-[1,1'-biphenyl]-4-carboxamide
CID 56764306
trans-N-(biphenyl-4-ylmethyl)-3-hydroxycyclohexanecarboxamide
CID 91764753
N-(5-hydroxy-3-phenylpentyl)-4-(trifluoromethyl)benzamide
CID 76146228
3-(5-chloropentyl)-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]benzamide
CID 21084897
N-(4,4-difluoro-3-hydroxy-5-methyl-1-phenylhept-6-en-2-yl)-4-phenylbenzamide
CID 54229619
3-(5-chloropentyl)-N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]benzamide
CID 57487528
3-(5-chloropentyl)-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]benzamide
CID 57512012
2-fluoro-N-(4-hydroxycyclohexyl)-4-(4-methylphenyl)benzamide
CID 68018762

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide?
The IUPAC name of N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide (CID 140999569) is N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide is O=C(NC(Cl)Cc1ccc(C2CCC(O)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide?
The InChIKey is PPPZMBZIITZFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c22-20(23-21(25)18-4-2-1-3-5-18)14-15-6-8-16(9-7-15)17-10-12-19(24)13-11-17/h1-9,17,19-20,24H,10-14H2,(H,23,25).
What are the key properties of N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide?
N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide has a molecular weight of 357.88 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-[4-(4-hydroxycyclohexyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 140999569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).