N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C18H16Cl2FNO2 — CID 71875039

IUPACN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1Cl)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H16Cl2FNO2/c19-11-5-6-12(14(20)9-11)16(23)10-22-17(24)18(7-8-18)13-3-1-2-4-15(13)21/h1-6,9,16,23H,7-8,10H2,(H,22,24)
InChIKeyHIOJZERMPYINLW-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 71875039) has the molecular formula C18H16Cl2FNO2 and a molecular weight of 368.24 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID71875039
Molecular FormulaC18H16Cl2FNO2
Molecular Weight368.24 g/mol
Exact Mass367.05
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1Cl)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H16Cl2FNO2/c19-11-5-6-12(14(20)9-11)16(23)10-22-17(24)18(7-8-18)13-3-1-2-4-15(13)21/h1-6,9,16,23H,7-8,10H2,(H,22,24)
InChIKeyHIOJZERMPYINLW-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 111565737
1-(3-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]cyclobutane-1-carboxamide
CID 111791808
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438440
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437987
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 111115704
1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 56812374
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438414
1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
CID 110428117
1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 110473612
(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 71875039) is N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCC(O)c1ccc(Cl)cc1Cl)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is HIOJZERMPYINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO2/c19-11-5-6-12(14(20)9-11)16(23)10-22-17(24)18(7-8-18)13-3-1-2-4-15(13)21/h1-6,9,16,23H,7-8,10H2,(H,22,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 368.24 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71875039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).