N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide

C22H20ClNO3 — CID 166230597

IUPACN-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESO=C(c1cccc(Cl)c1O)N(Cc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C22H20ClNO3/c23-19-13-7-12-18(21(19)26)22(27)24(14-16-8-3-1-4-9-16)15-20(25)17-10-5-2-6-11-17/h1-13,20,25-26H,14-15H2
InChIKeyOMBAUUDFPPJCAE-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.42
Rot. Bonds6

About N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide

N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide (PubChem CID 166230597) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
PubChem CID166230597
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC NameN-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESO=C(c1cccc(Cl)c1O)N(Cc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C22H20ClNO3/c23-19-13-7-12-18(21(19)26)22(27)24(14-16-8-3-1-4-9-16)15-20(25)17-10-5-2-6-11-17/h1-13,20,25-26H,14-15H2
InChIKeyOMBAUUDFPPJCAE-UHFFFAOYSA-N
XLogP4.42
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
CID 16686302
CID 16686302
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
CID 43911621
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712
1-(3-chloro-2-hydroxyphenyl)-3-(2-phenylethyl)-1-sulfanylurea
CID 87656723
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
N-benzyl-6-(cyclopropylamino)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 97072122
[4-[[benzyl-(2-chlorobenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3909217
N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42657096

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide?
The IUPAC name of N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide (CID 166230597) is N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide.
What is the SMILES notation for N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide?
The canonical SMILES for N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide is O=C(c1cccc(Cl)c1O)N(Cc1ccccc1)CC(O)c1ccccc1.
What is the InChIKey of N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide?
The InChIKey is OMBAUUDFPPJCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c23-19-13-7-12-18(21(19)26)22(27)24(14-16-8-3-1-4-9-16)15-20(25)17-10-5-2-6-11-17/h1-13,20,25-26H,14-15H2.
What are the key properties of N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide?
N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide has a molecular weight of 381.86 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide is sourced from PubChem (CID 166230597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).