N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide

C16H16ClNO4 — CID 4794471

IUPACN-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2)c(OC)c1OC
InChIInChI=1S/C16H16ClNO4/c1-20-13-9-8-12(14(21-2)15(13)22-3)16(19)18-11-6-4-10(17)5-7-11/h4-9H,1-3H3,(H,18,19)
InChIKeyCBECBDPMNRMPBU-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.62
Rot. Bonds5

About N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide

N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide (PubChem CID 4794471) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
PubChem CID4794471
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC NameN-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2)c(OC)c1OC
InChIInChI=1S/C16H16ClNO4/c1-20-13-9-8-12(14(21-2)15(13)22-3)16(19)18-11-6-4-10(17)5-7-11/h4-9H,1-3H3,(H,18,19)
InChIKeyCBECBDPMNRMPBU-UHFFFAOYSA-N
XLogP3.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-[(2,3,4-trimethoxybenzoyl)amino]phenyl]propanoic acid
CID 119254386
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
N-(2,6-dichlorophenyl)-2,3,4-trimethoxybenzamide
CID 2347602
N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
CID 24636994
N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
CID 110763407
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2,3,4-trimethoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 9219948
4-chloro-N-(4-iodophenyl)-2-methoxybenzamide
CID 47421842
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
2,3,4-trimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzamide
CID 90595853

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide?
The IUPAC name of N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide (CID 4794471) is N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)cc2)c(OC)c1OC.
What is the InChIKey of N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide?
The InChIKey is CBECBDPMNRMPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-20-13-9-8-12(14(21-2)15(13)22-3)16(19)18-11-6-4-10(17)5-7-11/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide?
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide has a molecular weight of 321.76 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 4794471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).