4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

C18H19ClN2O4 — CID 17257105

IUPAC4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)cc1
InChIInChI=1S/C18H19ClN2O4/c1-11(22)21-16-9-17(25-3)14(8-15(16)19)18(23)20-10-12-4-6-13(24-2)7-5-12/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyJULCBISWMIABKM-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.25
Rot. Bonds6

About 4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide

4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 17257105) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID17257105
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)cc1
InChIInChI=1S/C18H19ClN2O4/c1-11(22)21-16-9-17(25-3)14(8-15(16)19)18(23)20-10-12-4-6-13(24-2)7-5-12/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyJULCBISWMIABKM-UHFFFAOYSA-N
XLogP3.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17257164
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17257152
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
4-(benzylcarbamothioylamino)-5-chloro-2-methoxybenzoic acid
CID 91687091
7-methoxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812704
4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 4006974
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 17257105) is 4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)cc1.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is JULCBISWMIABKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11(22)21-16-9-17(25-3)14(8-15(16)19)18(23)20-10-12-4-6-13(24-2)7-5-12/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide?
4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 362.81 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 17257105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).