N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide

C15H20ClNO2 — CID 106244224

IUPACN-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOCC(Cl)CCNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H20ClNO2/c1-19-10-12(16)7-8-17-15(18)14-9-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,17,18)
InChIKeyJGCKENALQZRSOZ-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.55
Rot. Bonds7

About N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide

N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 106244224) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID106244224
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOCC(Cl)CCNC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H20ClNO2/c1-19-10-12(16)7-8-17-15(18)14-9-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,17,18)
InChIKeyJGCKENALQZRSOZ-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopropanecarboxamide, 2-phenyl-N-octyl-
CID 3093199
N-(3-methoxypropyl)-3-phenylpropanamide
CID 2169912
N-(3-butoxypropyl)-3-phenylbutanamide
CID 2915773
N-(3-methoxypropyl)-3-phenylbutanamide
CID 2913920
Cyclopropanecarboxamide, N-ethyl-2-phenyl-, cis-
CID 138147
1-Cyclopropanecarboxamide, 2-phenyl-N-hexyl-
CID 4134555
1-Cyclopropanecarboxamide, 2-phenyl-N-butyl-
CID 4453682
1-Cyclopropanecarboxamide, 2-phenyl-N-pentyl-
CID 4667673
N-(sec-Butyl)-2-phenylcyclopropanecarboxamide
CID 2844910
N-[(Oxan-4-YL)methyl]-2-phenylpropanamide
CID 110875676
N-[4-(2-chloro-2-fluorocyclopropyl)butyl]-3-phenylpropanamide
CID 178258190
1-Cyclopropanecarboxamide, 2-phenyl-N-undecyl-
CID 3314067

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide (CID 106244224) is N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide is COCC(Cl)CCNC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is JGCKENALQZRSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-19-10-12(16)7-8-17-15(18)14-9-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide?
N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 281.78 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 106244224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).