5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

C17H17ClFNO2 — CID 111122037

IUPAC5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESO=C(c1cc(Cl)ccc1F)N(CCO)CCc1ccccc1
InChIInChI=1S/C17H17ClFNO2/c18-14-6-7-16(19)15(12-14)17(22)20(10-11-21)9-8-13-4-2-1-3-5-13/h1-7,12,21H,8-11H2
InChIKeyMKPNSZFRMHPREV-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.16
Rot. Bonds6

About 5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (PubChem CID 111122037) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
PubChem CID111122037
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESO=C(c1cc(Cl)ccc1F)N(CCO)CCc1ccccc1
InChIInChI=1S/C17H17ClFNO2/c18-14-6-7-16(19)15(12-14)17(22)20(10-11-21)9-8-13-4-2-1-3-5-13/h1-7,12,21H,8-11H2
InChIKeyMKPNSZFRMHPREV-UHFFFAOYSA-N
XLogP3.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122067
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 86943414
2,4-difluoro-6-hydroxy-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122136
N-(2-hydroxyethyl)-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 111122151
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943587
3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
CID 82324750
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide
CID 120886368
N-(2-bromoethyl)-5-chloro-2-fluoro-N-propylbenzamide
CID 80665950
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886367

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (CID 111122037) is 5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is O=C(c1cc(Cl)ccc1F)N(CCO)CCc1ccccc1.
What is the InChIKey of 5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The InChIKey is MKPNSZFRMHPREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c18-14-6-7-16(19)15(12-14)17(22)20(10-11-21)9-8-13-4-2-1-3-5-13/h1-7,12,21H,8-11H2.
What are the key properties of 5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide has a molecular weight of 321.78 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 111122037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).