benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide

C23H28ClNO2 — CID 143174173

IUPACbenzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCCCC1CO)C1(c2ccc(Cl)cc2)CC1.c1ccccc1
InChIInChI=1S/C17H22ClNO2.C6H6/c18-14-7-5-13(6-8-14)17(9-10-17)16(21)19-15-4-2-1-3-12(15)11-20;1-2-4-6-5-3-1/h5-8,12,15,20H,1-4,9-11H2,(H,19,21);1-6H
InChIKeyRNZNEOXQHIHUJJ-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.73
Rot. Bonds4

About benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide

benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide (PubChem CID 143174173) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namebenzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
PubChem CID143174173
Molecular FormulaC23H28ClNO2
Molecular Weight385.94 g/mol
Exact Mass385.18
IUPAC Namebenzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCCCC1CO)C1(c2ccc(Cl)cc2)CC1.c1ccccc1
InChIInChI=1S/C17H22ClNO2.C6H6/c18-14-7-5-13(6-8-14)17(9-10-17)16(21)19-15-4-2-1-3-12(15)11-20;1-2-4-6-5-3-1/h5-8,12,15,20H,1-4,9-11H2,(H,19,21);1-6H
InChIKeyRNZNEOXQHIHUJJ-UHFFFAOYSA-N
XLogP4.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopropane-1-carboxamide
CID 103751443
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide
CID 119602028
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
(E)-3-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798353
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 120573779
2-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813061
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362498
1-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 78767408
5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
CID 114178785
N-(2-amino-1-cyclohexylethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119589829
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclopropane-1-carboxamide
CID 80711321

Frequently Asked Questions

What is the IUPAC name of benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide (CID 143174173) is benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide is O=C(NC1CCCCC1CO)C1(c2ccc(Cl)cc2)CC1.c1ccccc1.
What is the InChIKey of benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is RNZNEOXQHIHUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2.C6H6/c18-14-7-5-13(6-8-14)17(9-10-17)16(21)19-15-4-2-1-3-12(15)11-20;1-2-4-6-5-3-1/h5-8,12,15,20H,1-4,9-11H2,(H,19,21);1-6H.
What are the key properties of benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide?
benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 385.94 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 143174173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).