cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide

C14H17ClFNO2 — CID 133268532

IUPACcis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C14H17ClFNO2/c15-13-7-11(16)5-4-10(13)8-17-14(19)9-2-1-3-12(18)6-9/h4-5,7,9,12,18H,1-3,6,8H2,(H,17,19)/t9-,12+/m1/s1
InChIKeyVJQUBASLNAKHCX-SKDRFNHKSA-N
MW285.75 g/mol
LogP2.65
Rot. Bonds3

About cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide

cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide (PubChem CID 133268532) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide
PubChem CID133268532
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Namecis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C14H17ClFNO2/c15-13-7-11(16)5-4-10(13)8-17-14(19)9-2-1-3-12(18)6-9/h4-5,7,9,12,18H,1-3,6,8H2,(H,17,19)/t9-,12+/m1/s1
InChIKeyVJQUBASLNAKHCX-SKDRFNHKSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72887342
(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
CID 97116009
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
N-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011
3-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclohexane-1-carboxamide
CID 119753669
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylthiazinane-3-carboxamide
CID 91240604
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71463306
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760
N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663821
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide (CID 133268532) is cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide is O=C(NCc1ccc(F)cc1Cl)[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide?
The InChIKey is VJQUBASLNAKHCX-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-13-7-11(16)5-4-10(13)8-17-14(19)9-2-1-3-12(18)6-9/h4-5,7,9,12,18H,1-3,6,8H2,(H,17,19)/t9-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide?
cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 133268532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).