N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide

C15H14ClNO3 — CID 103600135

IUPACN-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)cc1O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-9(11-4-2-3-5-13(11)16)17-15(20)12-7-6-10(18)8-14(12)19/h2-9,18-19H,1H3,(H,17,20)
InChIKeyVHKUKUMARQOIIK-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.24
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide

N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide (PubChem CID 103600135) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
PubChem CID103600135
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)cc1O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-9(11-4-2-3-5-13(11)16)17-15(20)12-7-6-10(18)8-14(12)19/h2-9,18-19H,1H3,(H,17,20)
InChIKeyVHKUKUMARQOIIK-UHFFFAOYSA-N
XLogP3.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870817
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]-2,4-dihydroxybenzamide
CID 167778996
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
4-fluoro-2-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107015172
3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
CID 103606462
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
CID 26907594
5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511
N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107025469

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide (CID 103600135) is N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide is CC(NC(=O)c1ccc(O)cc1O)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide?
The InChIKey is VHKUKUMARQOIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9(11-4-2-3-5-13(11)16)17-15(20)12-7-6-10(18)8-14(12)19/h2-9,18-19H,1H3,(H,17,20).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide?
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide has a molecular weight of 291.73 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide is sourced from PubChem (CID 103600135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).