2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide

C21H24ClNO2 — CID 55751317

IUPAC2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide
SMILESCc1ccc(OCCCCNC(=O)C2CC2c2ccccc2Cl)cc1
InChIInChI=1S/C21H24ClNO2/c1-15-8-10-16(11-9-15)25-13-5-4-12-23-21(24)19-14-18(19)17-6-2-3-7-20(17)22/h2-3,6-11,18-19H,4-5,12-14H2,1H3,(H,23,24)
InChIKeyOWTQEWGXNCQXGO-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.73
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide (PubChem CID 55751317) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide
PubChem CID55751317
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide
SMILESCc1ccc(OCCCCNC(=O)C2CC2c2ccccc2Cl)cc1
InChIInChI=1S/C21H24ClNO2/c1-15-8-10-16(11-9-15)25-13-5-4-12-23-21(24)19-14-18(19)17-6-2-3-7-20(17)22/h2-3,6-11,18-19H,4-5,12-14H2,1H3,(H,23,24)
InChIKeyOWTQEWGXNCQXGO-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.73
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-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide
CID 55474580
trans-(1R,2R)-2-(3-chloro-4-pyridinyl)-N-[3-(4-methylphenoxy)propyl]cyclopropane-1-carboxamide
CID 166272287
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 55919373
2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
CID 78832067
2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide
CID 55662076
2-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 78780831
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 55474575
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
CID 52531252
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide (CID 55751317) is 2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide is Cc1ccc(OCCCCNC(=O)C2CC2c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide?
The InChIKey is OWTQEWGXNCQXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-15-8-10-16(11-9-15)25-13-5-4-12-23-21(24)19-14-18(19)17-6-2-3-7-20(17)22/h2-3,6-11,18-19H,4-5,12-14H2,1H3,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide has a molecular weight of 357.88 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(4-methylphenoxy)butyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55751317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).