3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide

C16H22Cl2N2O — CID 109031654

IUPAC3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide
SMILESO=C(CCNC1CCCCCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c17-12-9-13(18)11-15(10-12)20-16(21)7-8-19-14-5-3-1-2-4-6-14/h9-11,14,19H,1-8H2,(H,20,21)
InChIKeyZYLOFCLNDPIFLG-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.63
Rot. Bonds5

About 3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide

3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide (PubChem CID 109031654) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide
PubChem CID109031654
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide
SMILESO=C(CCNC1CCCCCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c17-12-9-13(18)11-15(10-12)20-16(21)7-8-19-14-5-3-1-2-4-6-14/h9-11,14,19H,1-8H2,(H,20,21)
InChIKeyZYLOFCLNDPIFLG-UHFFFAOYSA-N
XLogP4.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
CID 109031667
3-(cyclopentylamino)-N-(2,5-dichlorophenyl)propanamide
CID 109013761
N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide
CID 108951648
2-(cyclopropylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60647336
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea
CID 107654056
3-(cyclopropylamino)-N-(3,4,5-trifluorophenyl)propanamide
CID 62813705
5-[3-(cyclopropylamino)propanoylamino]benzene-1,3-dicarboxylic acid
CID 61160112
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of 3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide (CID 109031654) is 3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide is O=C(CCNC1CCCCCC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is ZYLOFCLNDPIFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c17-12-9-13(18)11-15(10-12)20-16(21)7-8-19-14-5-3-1-2-4-6-14/h9-11,14,19H,1-8H2,(H,20,21).
What are the key properties of 3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide?
3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 329.27 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 109031654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).