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

C18H17ClFNO2 — CID 110437937

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17ClFNO2/c19-14-5-1-12(2-6-14)16(22)11-21-17(23)18(9-10-18)13-3-7-15(20)8-4-13/h1-8,16,22H,9-11H2,(H,21,23)
InChIKeyBMMXTCSUHJCKIN-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.36
Rot. Bonds5

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

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 110437937) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID110437937
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17ClFNO2/c19-14-5-1-12(2-6-14)16(22)11-21-17(23)18(9-10-18)13-3-7-15(20)8-4-13/h1-8,16,22H,9-11H2,(H,21,23)
InChIKeyBMMXTCSUHJCKIN-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 95368233
1-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 126852737
N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 124760210
1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 124760857
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437987
2,2-dichloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methylcyclopropane-1-carboxamide
CID 110888815
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110896199
1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 124725327
N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 138993452
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
2-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]butanoic acid
CID 65219700
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 110437937) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCC(O)c1ccc(Cl)cc1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is BMMXTCSUHJCKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c19-14-5-1-12(2-6-14)16(22)11-21-17(23)18(9-10-18)13-3-7-15(20)8-4-13/h1-8,16,22H,9-11H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 333.79 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110437937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).