N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide

C16H21F2NO — CID 121021894

IUPACN-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H21F2NO/c1-12-3-2-4-13(11-12)5-6-15(20)19-14-7-9-16(17,18)10-8-14/h2-4,11,14H,5-10H2,1H3,(H,19,20)
InChIKeyAXBAONRAQABCHG-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.62
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide

N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide (PubChem CID 121021894) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
PubChem CID121021894
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H21F2NO/c1-12-3-2-4-13(11-12)5-6-15(20)19-14-7-9-16(17,18)10-8-14/h2-4,11,14H,5-10H2,1H3,(H,19,20)
InChIKeyAXBAONRAQABCHG-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
CID 51276836
N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide
CID 79377026
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide
CID 115056053
N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide
CID 103860366
N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013435
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide
CID 115056055
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
CID 65119986
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
CID 95628573
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide (CID 121021894) is N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NC2CCC(F)(F)CC2)c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide?
The InChIKey is AXBAONRAQABCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-12-3-2-4-13(11-12)5-6-15(20)19-14-7-9-16(17,18)10-8-14/h2-4,11,14H,5-10H2,1H3,(H,19,20).
What are the key properties of N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide?
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide has a molecular weight of 281.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 121021894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).