N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide

C17H24ClNO — CID 107184297

IUPACN-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1cccc(CCCCl)c1
InChIInChI=1S/C17H24ClNO/c1-17(2)10-4-9-15(17)16(20)19-14-8-3-6-13(12-14)7-5-11-18/h3,6,8,12,15H,4-5,7,9-11H2,1-2H3,(H,19,20)
InChIKeyCFIITRWMDZKHRN-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.62
Rot. Bonds5

About N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107184297) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107184297
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1cccc(CCCCl)c1
InChIInChI=1S/C17H24ClNO/c1-17(2)10-4-9-15(17)16(20)19-14-8-3-6-13(12-14)7-5-11-18/h3,6,8,12,15H,4-5,7,9-11H2,1-2H3,(H,19,20)
InChIKeyCFIITRWMDZKHRN-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176079
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107180494
N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174844
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920538
N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181426
N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179808
2-bromo-4-[(2,2-dimethylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176181
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 107184297) is N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1cccc(CCCCl)c1.
What is the InChIKey of N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is CFIITRWMDZKHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-17(2)10-4-9-15(17)16(20)19-14-8-3-6-13(12-14)7-5-11-18/h3,6,8,12,15H,4-5,7,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 293.84 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).