N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide

C15H20ClNO — CID 113273675

IUPACN-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide
SMILESCC(CCCl)CNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20ClNO/c1-12(7-10-16)11-17-14(18)15(8-9-15)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18)
InChIKeyHDZQAAMJLRCJNG-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.10
Rot. Bonds6

About N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide

N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 113273675) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID113273675
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide
SMILESCC(CCCl)CNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20ClNO/c1-12(7-10-16)11-17-14(18)15(8-9-15)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18)
InChIKeyHDZQAAMJLRCJNG-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.10
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-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopropane-1-carboxamide
CID 120651845
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide
CID 106116034
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
CID 111662697
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 96530875
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 95578914
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120650550
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
2-bromo-N-(4-chloro-2-methylbutyl)benzamide
CID 114305988

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide (CID 113273675) is N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide is CC(CCCl)CNC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is HDZQAAMJLRCJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-12(7-10-16)11-17-14(18)15(8-9-15)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18).
What are the key properties of N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide?
N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 265.78 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 113273675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).