2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide

C18H17ClFNO2 — CID 95379393

IUPAC2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFNO2/c19-16-10-14(20)8-9-15(16)17(22)21-11-18(23,13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,23H,6-7,11H2,(H,21,22)/t18-/m1/s1
InChIKeyCIXMDPXLCKQKSW-GOSISDBHSA-N
MW333.79 g/mol
LogP3.51
Rot. Bonds5

About 2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide

2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide (PubChem CID 95379393) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide
PubChem CID95379393
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC Name2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFNO2/c19-16-10-14(20)8-9-15(16)17(22)21-11-18(23,13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,23H,6-7,11H2,(H,21,22)/t18-/m1/s1
InChIKeyCIXMDPXLCKQKSW-GOSISDBHSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4'-Chloro-3'-[[[(1-hydroxycycloheptyl)methyl]amino]carbonyl]-[1,1'-biphenyl]-2-carboxylic acid
CID 11531460
N-{2-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-ethyl}-4-fluoro-benzamide
CID 13900361
4-[[(4-Tert-butylbenzoyl)amino]methyl]-3-chlorobenzoic acid
CID 137641372
4-[[(4-Tert-butylbenzoyl)amino]methyl]-2-chlorobenzoic acid
CID 137644141
3-(1-(2-Chloro-4-fluorobenzyl)-3-((dimethylamino)methyl)-4-hydroxypiperidin-4-yl)benzamide
CID 135240436
3-[(3S,4R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-[(dimethylamino)methyl]-4-hydroxypiperidin-4-yl]benzamide
CID 147153890
3-[(3R,4S)-1-[(2-chloro-4-fluorophenyl)methyl]-3-[(dimethylamino)methyl]-4-hydroxypiperidin-4-yl]benzamide
CID 153277602
2'-(2-Chloro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431344
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764204
2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764205
2-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-4-fluorobenzamide
CID 56764296

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide (CID 95379393) is 2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide is O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide?
The InChIKey is CIXMDPXLCKQKSW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c19-16-10-14(20)8-9-15(16)17(22)21-11-18(23,13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,23H,6-7,11H2,(H,21,22)/t18-/m1/s1.
What are the key properties of 2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide?
2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide has a molecular weight of 333.79 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-fluorobenzamide is sourced from PubChem (CID 95379393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).