2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide

C17H25FN2O — CID 114871995

IUPAC2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
SMILESCCC(NC1CCCCCC1)(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-2-17(16(19)21,13-8-7-9-14(18)12-13)20-15-10-5-3-4-6-11-15/h7-9,12,15,20H,2-6,10-11H2,1H3,(H2,19,21)
InChIKeyPMXYYCJTKOPFSN-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.23
Rot. Bonds5

About 2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide

2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide (PubChem CID 114871995) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
PubChem CID114871995
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
SMILESCCC(NC1CCCCCC1)(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-2-17(16(19)21,13-8-7-9-14(18)12-13)20-15-10-5-3-4-6-11-15/h7-9,12,15,20H,2-6,10-11H2,1H3,(H2,19,21)
InChIKeyPMXYYCJTKOPFSN-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
CID 114871991
2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
CID 60998078
2-(3-fluorophenyl)-2-(methylamino)butanamide
CID 114871926
2-(cyclopentylamino)-2-(4-ethylphenyl)butanamide
CID 60997547
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
CID 114872869
2-(cyclopentylamino)-2-(4-methoxyphenyl)butanamide
CID 60998135
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
2-(cyclohexylamino)-2-(3-fluorophenyl)propan-1-ol
CID 61047305
2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide
CID 114872011
N-[2-(3-fluorophenyl)propan-2-yl]cyclopentanamine
CID 115901868
2-(cyclopentylamino)-3-methoxy-2-phenylpropanamide
CID 103464910
2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide
CID 114872028

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide?
The IUPAC name of 2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide (CID 114871995) is 2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide.
What is the SMILES notation for 2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide?
The canonical SMILES for 2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide is CCC(NC1CCCCCC1)(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide?
The InChIKey is PMXYYCJTKOPFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-17(16(19)21,13-8-7-9-14(18)12-13)20-15-10-5-3-4-6-11-15/h7-9,12,15,20H,2-6,10-11H2,1H3,(H2,19,21).
What are the key properties of 2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide?
2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide has a molecular weight of 292.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide is sourced from PubChem (CID 114871995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).