cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide

C17H23ClN2O3 — CID 166390357

IUPACcis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1C(=O)NCCCO
InChIInChI=1S/C17H23ClN2O3/c18-12-6-8-13(9-7-12)20-17(23)15-5-2-1-4-14(15)16(22)19-10-3-11-21/h6-9,14-15,21H,1-5,10-11H2,(H,19,22)(H,20,23)/t14-,15+/m1/s1
InChIKeyUJGYKZJQQVGEJJ-CABCVRRESA-N
MW338.84 g/mol
LogP2.58
Rot. Bonds6

About cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide

cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide (PubChem CID 166390357) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide
PubChem CID166390357
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Namecis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1C(=O)NCCCO
InChIInChI=1S/C17H23ClN2O3/c18-12-6-8-13(9-7-12)20-17(23)15-5-2-1-4-14(15)16(22)19-10-3-11-21/h6-9,14-15,21H,1-5,10-11H2,(H,19,22)(H,20,23)/t14-,15+/m1/s1
InChIKeyUJGYKZJQQVGEJJ-CABCVRRESA-N
XLogP2.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(1H-pyrazol-5-ylmethyl)cyclohexane-1,2-dicarboxamide
CID 164642855
N-[3-(4-chlorophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014408
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
2-[[4-[(4-chlorophenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 22688975
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
CID 47067239
1-N-(4-acetylphenyl)-2-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138655
cis-(1S,2R)-2-[[4-(carboxylatomethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 7494747
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide (CID 166390357) is cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide is O=C(Nc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1C(=O)NCCCO.
What is the InChIKey of cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide?
The InChIKey is UJGYKZJQQVGEJJ-CABCVRRESA-N. The full InChI is InChI=1S/C17H23ClN2O3/c18-12-6-8-13(9-7-12)20-17(23)15-5-2-1-4-14(15)16(22)19-10-3-11-21/h6-9,14-15,21H,1-5,10-11H2,(H,19,22)(H,20,23)/t14-,15+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide?
cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide has a molecular weight of 338.84 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-(4-chlorophenyl)-1-N-(3-hydroxypropyl)cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 166390357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).