(1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C18H25F2NO — CID 59992353

IUPAC(1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1cccc(F)c1F
InChIInChI=1S/C18H25F2NO/c1-11(2)14-8-7-12(3)9-15(14)18(22)21-10-13-5-4-6-16(19)17(13)20/h4-6,11-12,14-15H,7-10H2,1-3H3,(H,21,22)/t12-,14+,15-/m1/s1
InChIKeyHZTSMTUPNAIPCD-VHDGCEQUSA-N
MW309.40 g/mol
LogP4.29
Rot. Bonds4

About (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 59992353) has the molecular formula C18H25F2NO and a molecular weight of 309.40 g/mol. Its IUPAC name is (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID59992353
Molecular FormulaC18H25F2NO
Molecular Weight309.40 g/mol
Exact Mass309.19
IUPAC Name(1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1cccc(F)c1F
InChIInChI=1S/C18H25F2NO/c1-11(2)14-8-7-12(3)9-15(14)18(22)21-10-13-5-4-6-16(19)17(13)20/h4-6,11-12,14-15H,7-10H2,1-3H3,(H,21,22)/t12-,14+,15-/m1/s1
InChIKeyHZTSMTUPNAIPCD-VHDGCEQUSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-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

N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
N-[2-(2-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831515
trans-(1R,5R)-N-[2-(2-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 67477186
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(1R,2S,5R)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 164904811
2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951251
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 59992353) is (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1cccc(F)c1F.
What is the InChIKey of (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is HZTSMTUPNAIPCD-VHDGCEQUSA-N. The full InChI is InChI=1S/C18H25F2NO/c1-11(2)14-8-7-12(3)9-15(14)18(22)21-10-13-5-4-6-16(19)17(13)20/h4-6,11-12,14-15H,7-10H2,1-3H3,(H,21,22)/t12-,14+,15-/m1/s1.
What are the key properties of (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
(1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 309.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-N-[(2,3-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 59992353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).