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

C16H15Cl2NO4 — CID 1020033

IUPACN-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C16H15Cl2NO4/c1-21-13-8-15(23-3)14(22-2)7-10(13)16(20)19-12-6-9(17)4-5-11(12)18/h4-8H,1-3H3,(H,19,20)
InChIKeyNLQRJDPHGJJDRA-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.27
Rot. Bonds5

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

N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide (PubChem CID 1020033) has the molecular formula C16H15Cl2NO4 and a molecular weight of 356.21 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
PubChem CID1020033
Molecular FormulaC16H15Cl2NO4
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC NameN-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C16H15Cl2NO4/c1-21-13-8-15(23-3)14(22-2)7-10(13)16(20)19-12-6-9(17)4-5-11(12)18/h4-8H,1-3H3,(H,19,20)
InChIKeyNLQRJDPHGJJDRA-UHFFFAOYSA-N
XLogP4.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 837991
N-(2-chlorophenyl)-2,4,5-trimethoxybenzamide
CID 912702
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
N-(2,5-dichlorophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 52901858
N-(2-fluoro-5-methylphenyl)-2,4,5-trimethoxybenzamide
CID 26881977
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
2-bromo-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 7899907
N-(2-acetamido-5-chlorophenyl)-2-iodo-4,5-dimethoxybenzamide
CID 60619805
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
N-(2-hydroxyphenyl)-2,4,5-trimethoxybenzamide
CID 7311914

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide (CID 1020033) is N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC.
What is the InChIKey of N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is NLQRJDPHGJJDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4/c1-21-13-8-15(23-3)14(22-2)7-10(13)16(20)19-12-6-9(17)4-5-11(12)18/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide?
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 356.21 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 1020033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).