N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide

C17H24FNO — CID 86876241

IUPACN-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide
SMILESCC1CCC(C)(NC(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C17H24FNO/c1-13-8-10-17(2,11-9-13)19-16(20)7-6-14-4-3-5-15(18)12-14/h3-5,12-13H,6-11H2,1-2H3,(H,19,20)
InChIKeyMQGZZUCEGUDCEZ-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.84
Rot. Bonds4

About N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide

N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide (PubChem CID 86876241) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide
PubChem CID86876241
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide
SMILESCC1CCC(C)(NC(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C17H24FNO/c1-13-8-10-17(2,11-9-13)19-16(20)7-6-14-4-3-5-15(18)12-14/h3-5,12-13H,6-11H2,1-2H3,(H,19,20)
InChIKeyMQGZZUCEGUDCEZ-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450824
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide
CID 115271381
2-(3-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 25473740
2-[(3-bromophenyl)methylsulfonyl]-N-(1,4-dimethylcyclohexyl)acetamide
CID 52834535
3-(3-fluorophenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110737633
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
CID 65119986
3-(3-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]propanamide
CID 97078264
3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
CID 97078263
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116749463
N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
CID 41483845

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide (CID 86876241) is N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide is CC1CCC(C)(NC(=O)CCc2cccc(F)c2)CC1.
What is the InChIKey of N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide?
The InChIKey is MQGZZUCEGUDCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13-8-10-17(2,11-9-13)19-16(20)7-6-14-4-3-5-15(18)12-14/h3-5,12-13H,6-11H2,1-2H3,(H,19,20).
What are the key properties of N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide?
N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide has a molecular weight of 277.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 86876241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).