N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide

C15H18ClNO — CID 115636963

IUPACN-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
SMILESC=C(Cl)CNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H18ClNO/c1-12(16)11-17-14(18)15(9-5-6-10-15)13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2,(H,17,18)
InChIKeyWWGASPSORWZCHT-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.37
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide

N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 115636963) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID115636963
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
SMILESC=C(Cl)CNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C15H18ClNO/c1-12(16)11-17-14(18)15(9-5-6-10-15)13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2,(H,17,18)
InChIKeyWWGASPSORWZCHT-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 113238634
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CID 778764
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
CID 110474016
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
1-phenyl-N-(2-phenylsulfanylethyl)cyclopentane-1-carboxamide
CID 39630901

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide (CID 115636963) is N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide is C=C(Cl)CNC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is WWGASPSORWZCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-12(16)11-17-14(18)15(9-5-6-10-15)13-7-3-2-4-8-13/h2-4,7-8H,1,5-6,9-11H2,(H,17,18).
What are the key properties of N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide?
N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 263.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 115636963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).