2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide

C17H25ClN2O — CID 60998078

IUPAC2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
SMILESCCC(NC1CCCCCC1)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/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)
InChIKeyLMPKNGQWCDCUPC-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.74
Rot. Bonds5

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

2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide (PubChem CID 60998078) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
PubChem CID60998078
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
SMILESCCC(NC1CCCCCC1)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O/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)
InChIKeyLMPKNGQWCDCUPC-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
CID 114871995
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890
2-(cyclopentylamino)-2-(4-methoxyphenyl)butanamide
CID 60998135
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
CID 114871991
2-(3-chlorophenyl)-2-(cyclopentylamino)propan-1-ol
CID 61053941
2-(cyclopentylamino)-3-methoxy-2-phenylpropanamide
CID 103464910
2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
ethyl 2-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
2-(3-chlorophenyl)-2-(propylamino)butanoic acid
CID 43754042
2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60996840
ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
CID 60788385
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide (CID 60998078) is 2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide is CCC(NC1CCCCCC1)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide?
The InChIKey is LMPKNGQWCDCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/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-(3-chlorophenyl)-2-(cycloheptylamino)butanamide?
2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide has a molecular weight of 308.85 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide is sourced from PubChem (CID 60998078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).