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

C16H22F2N2O — CID 109031667

IUPAC3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
SMILESO=C(CCNC1CCCCCC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H22F2N2O/c17-14-8-7-13(11-15(14)18)20-16(21)9-10-19-12-5-3-1-2-4-6-12/h7-8,11-12,19H,1-6,9-10H2,(H,20,21)
InChIKeyHCOTXDWXXMUJMS-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.61
Rot. Bonds5

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

3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 109031667) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
PubChem CID109031667
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
SMILESO=C(CCNC1CCCCCC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H22F2N2O/c17-14-8-7-13(11-15(14)18)20-16(21)9-10-19-12-5-3-1-2-4-6-12/h7-8,11-12,19H,1-6,9-10H2,(H,20,21)
InChIKeyHCOTXDWXXMUJMS-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide
CID 109031654
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
CID 62813705
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-(cyclopentylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109013721
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide (CID 109031667) is 3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide is O=C(CCNC1CCCCCC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is HCOTXDWXXMUJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-14-8-7-13(11-15(14)18)20-16(21)9-10-19-12-5-3-1-2-4-6-12/h7-8,11-12,19H,1-6,9-10H2,(H,20,21).
What are the key properties of 3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide?
3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 296.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 109031667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).