N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

C15H18ClNO — CID 113238634

IUPACN-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESC=C(Cl)CNC(=O)C1(c2cccc(C)c2)CCC1
InChIInChI=1S/C15H18ClNO/c1-11-5-3-6-13(9-11)15(7-4-8-15)14(18)17-10-12(2)16/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,17,18)
InChIKeyVFGRIPACZJVNQP-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.29
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 113238634) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
PubChem CID113238634
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESC=C(Cl)CNC(=O)C1(c2cccc(C)c2)CCC1
InChIInChI=1S/C15H18ClNO/c1-11-5-3-6-13(9-11)15(7-4-8-15)14(18)17-10-12(2)16/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,17,18)
InChIKeyVFGRIPACZJVNQP-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
CID 115636963
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 103876725
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 119246489
N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32668077

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (CID 113238634) is N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is C=C(Cl)CNC(=O)C1(c2cccc(C)c2)CCC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is VFGRIPACZJVNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-11-5-3-6-13(9-11)15(7-4-8-15)14(18)17-10-12(2)16/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,17,18).
What are the key properties of N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 263.77 g/mol, XLogP of 3.29, 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-(3-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 113238634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).