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

C20H21ClFNO2 — CID 55474580

IUPAC2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C20H21ClFNO2/c21-19-6-2-1-5-16(19)17-13-18(17)20(24)23-11-3-4-12-25-15-9-7-14(22)8-10-15/h1-2,5-10,17-18H,3-4,11-13H2,(H,23,24)
InChIKeyFNAQCCLULLHLKL-UHFFFAOYSA-N
MW361.84 g/mol
LogP4.56
Rot. Bonds8

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

2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide (PubChem CID 55474580) has the molecular formula C20H21ClFNO2 and a molecular weight of 361.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide
PubChem CID55474580
Molecular FormulaC20H21ClFNO2
Molecular Weight361.84 g/mol
Exact Mass361.12
IUPAC Name2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C20H21ClFNO2/c21-19-6-2-1-5-16(19)17-13-18(17)20(24)23-11-3-4-12-25-15-9-7-14(22)8-10-15/h1-2,5-10,17-18H,3-4,11-13H2,(H,23,24)
InChIKeyFNAQCCLULLHLKL-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 54.56
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-methylphenoxy)butyl]cyclopropane-1-carboxamide
CID 55751317
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 55919373
(2S)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-(4-fluorophenyl)propanoic acid
CID 129467974
trans-(1R,2R)-2-(3-chloro-4-pyridinyl)-N-[3-(4-methylphenoxy)propyl]cyclopropane-1-carboxamide
CID 166272287
2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide
CID 42572414
2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
CID 78832067
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
CID 52531252
2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide
CID 78854955
N-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55476894
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 55474575

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide (CID 55474580) is 2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide is O=C(NCCCCOc1ccc(F)cc1)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide?
The InChIKey is FNAQCCLULLHLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO2/c21-19-6-2-1-5-16(19)17-13-18(17)20(24)23-11-3-4-12-25-15-9-7-14(22)8-10-15/h1-2,5-10,17-18H,3-4,11-13H2,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[4-(4-fluorophenoxy)butyl]cyclopropane-1-carboxamide has a molecular weight of 361.84 g/mol, XLogP of 4.56, 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-fluorophenoxy)butyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55474580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).