N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide

C16H16ClNO4 — CID 912702

IUPACN-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C16H16ClNO4/c1-20-13-9-15(22-3)14(21-2)8-10(13)16(19)18-12-7-5-4-6-11(12)17/h4-9H,1-3H3,(H,18,19)
InChIKeyKALKPSRYVKQNJZ-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.62
Rot. Bonds5

About N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide

N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide (PubChem CID 912702) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
PubChem CID912702
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC NameN-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C16H16ClNO4/c1-20-13-9-15(22-3)14(21-2)8-10(13)16(19)18-12-7-5-4-6-11(12)17/h4-9H,1-3H3,(H,18,19)
InChIKeyKALKPSRYVKQNJZ-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

N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
N-(2-chlorophenyl)-4-methoxynaphthalene-1-carboxamide
CID 110169740
N-[2-(difluoromethoxy)phenyl]-2,4,5-trimethoxybenzamide
CID 17394633
N-(5-chloro-2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 837991
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
N-(2-chlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 84579322
4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
CID 17257138
[2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate
CID 58833963

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide (CID 912702) is N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccccc2Cl)cc1OC.
What is the InChIKey of N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is KALKPSRYVKQNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-20-13-9-15(22-3)14(21-2)8-10(13)16(19)18-12-7-5-4-6-11(12)17/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide?
N-(2-chlorophenyl)-2,4,5-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-(2-chlorophenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 912702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).