N-benzyl-5-chloro-2,4-dihydroxybenzamide

C14H12ClNO3 — CID 137440573

IUPACN-benzyl-5-chloro-2,4-dihydroxybenzamide
SMILESO=C(NCc1ccccc1)c1cc(Cl)c(O)cc1O
InChIInChI=1S/C14H12ClNO3/c15-11-6-10(12(17)7-13(11)18)14(19)16-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2,(H,16,19)
InChIKeyQASRKFNNLZSOOL-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.68
Rot. Bonds3

About N-benzyl-5-chloro-2,4-dihydroxybenzamide

N-benzyl-5-chloro-2,4-dihydroxybenzamide (PubChem CID 137440573) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-benzyl-5-chloro-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-2,4-dihydroxybenzamide
PubChem CID137440573
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC NameN-benzyl-5-chloro-2,4-dihydroxybenzamide
SMILESO=C(NCc1ccccc1)c1cc(Cl)c(O)cc1O
InChIInChI=1S/C14H12ClNO3/c15-11-6-10(12(17)7-13(11)18)14(19)16-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2,(H,16,19)
InChIKeyQASRKFNNLZSOOL-UHFFFAOYSA-N
XLogP2.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888
5-(1,2-benzoxazol-3-yl)-N-benzyl-2,4-dihydroxybenzamide
CID 135526570
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-(benzylcarbamoyl)-3,6-dihydroxybenzoic acid
CID 139355426
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-2,4-dihydroxybenzamide?
The IUPAC name of N-benzyl-5-chloro-2,4-dihydroxybenzamide (CID 137440573) is N-benzyl-5-chloro-2,4-dihydroxybenzamide.
What is the SMILES notation for N-benzyl-5-chloro-2,4-dihydroxybenzamide?
The canonical SMILES for N-benzyl-5-chloro-2,4-dihydroxybenzamide is O=C(NCc1ccccc1)c1cc(Cl)c(O)cc1O.
What is the InChIKey of N-benzyl-5-chloro-2,4-dihydroxybenzamide?
The InChIKey is QASRKFNNLZSOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-11-6-10(12(17)7-13(11)18)14(19)16-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2,(H,16,19).
What are the key properties of N-benzyl-5-chloro-2,4-dihydroxybenzamide?
N-benzyl-5-chloro-2,4-dihydroxybenzamide has a molecular weight of 277.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-2,4-dihydroxybenzamide is sourced from PubChem (CID 137440573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).