2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide

C23H21ClN2O4 — CID 134138644

IUPAC2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
SMILESO=C(Nc1c(OCc2ccc(Cl)cc2)cccc1C(=O)NCCO)c1ccccc1
InChIInChI=1S/C23H21ClN2O4/c24-18-11-9-16(10-12-18)15-30-20-8-4-7-19(23(29)25-13-14-27)21(20)26-22(28)17-5-2-1-3-6-17/h1-12,27H,13-15H2,(H,25,29)(H,26,28)
InChIKeyVRNPGPCUNXCWQG-UHFFFAOYSA-N
MW424.88 g/mol
LogP3.89
Rot. Bonds8

About 2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide

2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide (PubChem CID 134138644) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is 2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
PubChem CID134138644
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
SMILESO=C(Nc1c(OCc2ccc(Cl)cc2)cccc1C(=O)NCCO)c1ccccc1
InChIInChI=1S/C23H21ClN2O4/c24-18-11-9-16(10-12-18)15-30-20-8-4-7-19(23(29)25-13-14-27)21(20)26-22(28)17-5-2-1-3-6-17/h1-12,27H,13-15H2,(H,25,29)(H,26,28)
InChIKeyVRNPGPCUNXCWQG-UHFFFAOYSA-N
XLogP3.89
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-4-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 134132299
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2454005
N-[(3-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methoxy]benzamide
CID 32636544
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 16547670
2-[(4-chlorophenyl)methoxy]-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533123
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
2-[(4-chlorophenyl)methoxy]-N-(2-pyridin-3-ylethyl)benzamide
CID 39559750
N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide (CID 134138644) is 2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide is O=C(Nc1c(OCc2ccc(Cl)cc2)cccc1C(=O)NCCO)c1ccccc1.
What is the InChIKey of 2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
The InChIKey is VRNPGPCUNXCWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c24-18-11-9-16(10-12-18)15-30-20-8-4-7-19(23(29)25-13-14-27)21(20)26-22(28)17-5-2-1-3-6-17/h1-12,27H,13-15H2,(H,25,29)(H,26,28).
What are the key properties of 2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide has a molecular weight of 424.88 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 134138644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).