3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide

C16H21F2NO2 — CID 163306300

IUPAC3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide
SMILESCOC1CCC(NC(=O)CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H21F2NO2/c1-21-13-6-4-12(5-7-13)19-16(20)9-3-11-2-8-14(17)15(18)10-11/h2,8,10,12-13H,3-7,9H2,1H3,(H,19,20)
InChIKeyXILUAVHZMJCIAP-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.97
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide

3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide (PubChem CID 163306300) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide
PubChem CID163306300
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide
SMILESCOC1CCC(NC(=O)CCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H21F2NO2/c1-21-13-6-4-12(5-7-13)19-16(20)9-3-11-2-8-14(17)15(18)10-11/h2,8,10,12-13H,3-7,9H2,1H3,(H,19,20)
InChIKeyXILUAVHZMJCIAP-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
CID 154665740
2-(4-fluorophenyl)-N-(3-isopropoxypropyl)acetamide
CID 2228387
N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 154665746
N-(4,4-difluorocyclohexyl)-6-phenylhexanamide
CID 154665756
N-(oxan-4-yl)-6-phenylhexanamide
CID 154665768
2-(3-benzylcyclobutyl)-N-(4-hydroxycyclohexyl)acetamide
CID 154665769
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclobutane-1-carboxamide
CID 155026181
N-(4-hydroxycyclohexyl)-2-[2-(2-phenylethyl)cyclopropyl]acetamide
CID 155258701
N-[(1s,4s)-4-Hydroxycyclohexyl] (1R,2R)-2-(3-phenylpropyl)cyclopropanecarboxamide
CID 164946745
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166625728
4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 166625783
N-(4-hydroxycyclohexyl)-3-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 166630816

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide (CID 163306300) is 3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide is COC1CCC(NC(=O)CCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide?
The InChIKey is XILUAVHZMJCIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-21-13-6-4-12(5-7-13)19-16(20)9-3-11-2-8-14(17)15(18)10-11/h2,8,10,12-13H,3-7,9H2,1H3,(H,19,20).
What are the key properties of 3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide?
3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide has a molecular weight of 297.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(4-methoxycyclohexyl)propanamide is sourced from PubChem (CID 163306300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).