2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide

C20H22ClNO2 — CID 55919373

IUPAC2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CCCNC(=O)C2CC2c2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClNO2/c1-24-15-10-8-14(9-11-15)5-4-12-22-20(23)18-13-17(18)16-6-2-3-7-19(16)21/h2-3,6-11,17-18H,4-5,12-13H2,1H3,(H,22,23)
InChIKeyPGGUBGCMBVNDNA-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.20
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide (PubChem CID 55919373) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide
PubChem CID55919373
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CCCNC(=O)C2CC2c2ccccc2Cl)cc1
InChIInChI=1S/C20H22ClNO2/c1-24-15-10-8-14(9-11-15)5-4-12-22-20(23)18-13-17(18)16-6-2-3-7-19(16)21/h2-3,6-11,17-18H,4-5,12-13H2,1H3,(H,22,23)
InChIKeyPGGUBGCMBVNDNA-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 51291805
2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
CID 78832067
2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide
CID 55751317
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide
CID 55474580
N-[2-(2-chlorophenyl)cyclopropyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 71880321
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 100632856
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86851473
cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 129424865

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide (CID 55919373) is 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide is COc1ccc(CCCNC(=O)C2CC2c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide?
The InChIKey is PGGUBGCMBVNDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-24-15-10-8-14(9-11-15)5-4-12-22-20(23)18-13-17(18)16-6-2-3-7-19(16)21/h2-3,6-11,17-18H,4-5,12-13H2,1H3,(H,22,23).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide has a molecular weight of 343.85 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55919373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).