N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide

C24H31FN2O — CID 67357717

IUPACN-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
SMILESCN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H31FN2O/c1-27(2)24(21-9-6-10-22(25)16-21)20-13-11-19(12-14-20)17-26-23(28)15-18-7-4-3-5-8-18/h3-10,16,19-20,24H,11-15,17H2,1-2H3,(H,26,28)
InChIKeyPEOJTBGYKDUCSN-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.59
Rot. Bonds7

About N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide

N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide (PubChem CID 67357717) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
PubChem CID67357717
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC NameN-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
SMILESCN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H31FN2O/c1-27(2)24(21-9-6-10-22(25)16-21)20-13-11-19(12-14-20)17-26-23(28)15-18-7-4-3-5-8-18/h3-10,16,19-20,24H,11-15,17H2,1-2H3,(H,26,28)
InChIKeyPEOJTBGYKDUCSN-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
CID 66703268
3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide
CID 66702807
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 91061085
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 66994392
N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide
CID 66994456
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine
CID 24739897
N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
CID 98136078
N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 98136069
N-[[4-[dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 110241959
N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 140542996
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 141220125

Frequently Asked Questions

What is the IUPAC name of N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide (CID 67357717) is N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide is CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide?
The InChIKey is PEOJTBGYKDUCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-27(2)24(21-9-6-10-22(25)16-21)20-13-11-19(12-14-20)17-26-23(28)15-18-7-4-3-5-8-18/h3-10,16,19-20,24H,11-15,17H2,1-2H3,(H,26,28).
What are the key properties of N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide?
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide has a molecular weight of 382.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 67357717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).