3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide

C15H13ClFNO2 — CID 140673362

IUPAC3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESNC(=O)c1cccc(C(CO)c2cccc(Cl)c2)c1F
InChIInChI=1S/C15H13ClFNO2/c16-10-4-1-3-9(7-10)13(8-19)11-5-2-6-12(14(11)17)15(18)20/h1-7,13,19H,8H2,(H2,18,20)
InChIKeyDZPZAENVWJIPHC-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.70
Rot. Bonds4

About 3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide

3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (PubChem CID 140673362) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
PubChem CID140673362
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESNC(=O)c1cccc(C(CO)c2cccc(Cl)c2)c1F
InChIInChI=1S/C15H13ClFNO2/c16-10-4-1-3-9(7-10)13(8-19)11-5-2-6-12(14(11)17)15(18)20/h1-7,13,19H,8H2,(H2,18,20)
InChIKeyDZPZAENVWJIPHC-UHFFFAOYSA-N
XLogP2.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 176657549
3-[(1S)-1-amino-2-hydroxyethyl]-2-fluorobenzoic acid
CID 66514170
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
3-carbamoyl-2-fluorobenzoic acid
CID 91004020
(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
(4S)-4-(3-chlorophenyl)-4-phenylbutanoic acid
CID 129383494
(2R)-2-(3-chlorophenyl)butanediamide
CID 94675074
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
3-(4-amino-1,2-dihydroxy-4-oxobutyl)-2-fluorobenzoic acid
CID 171899442

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The IUPAC name of 3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (CID 140673362) is 3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.
What is the SMILES notation for 3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The canonical SMILES for 3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is NC(=O)c1cccc(C(CO)c2cccc(Cl)c2)c1F.
What is the InChIKey of 3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The InChIKey is DZPZAENVWJIPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-10-4-1-3-9(7-10)13(8-19)11-5-2-6-12(14(11)17)15(18)20/h1-7,13,19H,8H2,(H2,18,20).
What are the key properties of 3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide has a molecular weight of 293.73 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is sourced from PubChem (CID 140673362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).