N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide

C15H20ClNO — CID 63392759

IUPACN-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide
SMILESCCCN(CCCl)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20ClNO/c1-2-11-17(12-10-16)14(18)15(8-9-15)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyULGSGCFUBPIGGW-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.20
Rot. Bonds6

About N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide

N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide (PubChem CID 63392759) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide
PubChem CID63392759
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide
SMILESCCCN(CCCl)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20ClNO/c1-2-11-17(12-10-16)14(18)15(8-9-15)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyULGSGCFUBPIGGW-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 63393888
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113469199
2-[[1-(3-methylphenyl)cyclobutanecarbonyl]-propylamino]acetic acid
CID 61012880
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711
N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62878656
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
1-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-propylcyclobutane-1-carboxamide
CID 86874276
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
1-(2-methyl-1H-indol-3-yl)-N,N-dipropylcyclopropane-1-carboxamide
CID 113211753
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide
CID 134040980

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide (CID 63392759) is N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide is CCCN(CCCl)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide?
The InChIKey is ULGSGCFUBPIGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-11-17(12-10-16)14(18)15(8-9-15)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide?
N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide has a molecular weight of 265.78 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 63392759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).