cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

C16H22FNO3 — CID 91774938

IUPACcis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESO=C([C@H]1CCC[C@@H](O)C1)N(CCO)Cc1ccccc1F
InChIInChI=1S/C16H22FNO3/c17-15-7-2-1-4-13(15)11-18(8-9-19)16(21)12-5-3-6-14(20)10-12/h1-2,4,7,12,14,19-20H,3,5-6,8-11H2/t12-,14+/m0/s1
InChIKeyFQNYDWDGNAQWDH-GXTWGEPZSA-N
MW295.35 g/mol
LogP1.70
Rot. Bonds5

About cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 91774938) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID91774938
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Namecis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESO=C([C@H]1CCC[C@@H](O)C1)N(CCO)Cc1ccccc1F
InChIInChI=1S/C16H22FNO3/c17-15-7-2-1-4-13(15)11-18(8-9-19)16(21)12-5-3-6-14(20)10-12/h1-2,4,7,12,14,19-20H,3,5-6,8-11H2/t12-,14+/m0/s1
InChIKeyFQNYDWDGNAQWDH-GXTWGEPZSA-N
XLogP1.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 91773233
N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 50980685
(2S)-N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 95144039
trans-(1S,3S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 91759896
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
trans-(1S,3S)-3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124557491
cis-(1R,3S)-3-[2-hydroxyethyl-[(2-methylphenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 121494451
N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-5-(2-hydroxyphenyl)pyrazolidine-3-carboxamide
CID 134079935
N-butyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119316064
N-[(2-fluorophenyl)methyl]-N-[6-(pyridin-2-ylamino)hexyl]cyclobutanecarboxamide
CID 42706505
trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 91789090
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (CID 91774938) is cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is O=C([C@H]1CCC[C@@H](O)C1)N(CCO)Cc1ccccc1F.
What is the InChIKey of cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is FQNYDWDGNAQWDH-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H22FNO3/c17-15-7-2-1-4-13(15)11-18(8-9-19)16(21)12-5-3-6-14(20)10-12/h1-2,4,7,12,14,19-20H,3,5-6,8-11H2/t12-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91774938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).