(1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide

C15H21FN2O2 — CID 155919154

IUPAC(1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H](N)[C@H](O)C1
InChIInChI=1S/C15H21FN2O2/c1-18(9-11-4-2-3-5-12(11)16)15(20)10-6-7-13(17)14(19)8-10/h2-5,10,13-14,19H,6-9,17H2,1H3/t10-,13+,14+/m0/s1
InChIKeyHXRLTUBIVOWOGB-ZLKJLUDKSA-N
MW280.34 g/mol
LogP1.27
Rot. Bonds3

About (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide

(1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide (PubChem CID 155919154) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide
PubChem CID155919154
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H](N)[C@H](O)C1
InChIInChI=1S/C15H21FN2O2/c1-18(9-11-4-2-3-5-12(11)16)15(20)10-6-7-13(17)14(19)8-10/h2-5,10,13-14,19H,6-9,17H2,1H3/t10-,13+,14+/m0/s1
InChIKeyHXRLTUBIVOWOGB-ZLKJLUDKSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide with MolForge

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Related Compounds

acetic acid;(1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide
CID 155972271
trans-(1S,3S)-3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124557491
2-amino-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682173
N-[(2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 134012637
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 55401435
(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 155940113
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 77091258
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 134040901
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
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 (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide (CID 155919154) is (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide is CN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H](N)[C@H](O)C1.
What is the InChIKey of (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is HXRLTUBIVOWOGB-ZLKJLUDKSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(9-11-4-2-3-5-12(11)16)15(20)10-6-7-13(17)14(19)8-10/h2-5,10,13-14,19H,6-9,17H2,1H3/t10-,13+,14+/m0/s1.
What are the key properties of (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide?
(1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 155919154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).