2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide

C16H22F2N2O — CID 60997602

IUPAC2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide
SMILESCC(NC1CCCCCC1)(C(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O/c1-16(15(19)21,13-9-8-11(17)10-14(13)18)20-12-6-4-2-3-5-7-12/h8-10,12,20H,2-7H2,1H3,(H2,19,21)
InChIKeyXPCKWWQVQBKROJ-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.98
Rot. Bonds4

About 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide

2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide (PubChem CID 60997602) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide
PubChem CID60997602
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide
SMILESCC(NC1CCCCCC1)(C(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O/c1-16(15(19)21,13-9-8-11(17)10-14(13)18)20-12-6-4-2-3-5-7-12/h8-10,12,20H,2-7H2,1H3,(H2,19,21)
InChIKeyXPCKWWQVQBKROJ-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-2-(2,4-difluorophenyl)propanamide
CID 60795802
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358
2-(cyclohexylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61046551
2-(cyclopentylamino)-2-(2,4-dimethylphenyl)propanamide
CID 54894284
2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61055166
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342
2-(cyclohexylamino)-2-(2-methoxy-5-methylphenyl)propanamide
CID 60998168
2-(cyclopentylamino)-2-(4-hydroxyphenyl)propanamide
CID 54894194
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanamide
CID 107707551
2-(cyclopentylamino)-2-(3-hydroxyphenyl)propanamide
CID 54894241
2-(cyclopentylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 60998760

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide?
The IUPAC name of 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide (CID 60997602) is 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide is CC(NC1CCCCCC1)(C(N)=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide?
The InChIKey is XPCKWWQVQBKROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-16(15(19)21,13-9-8-11(17)10-14(13)18)20-12-6-4-2-3-5-7-12/h8-10,12,20H,2-7H2,1H3,(H2,19,21).
What are the key properties of 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide?
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide has a molecular weight of 296.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 60997602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).