N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide

C17H18ClNO3 — CID 918553

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
SMILESCOc1cc(NC(=O)c2cc(C)cc(C)c2)c(OC)cc1Cl
InChIInChI=1S/C17H18ClNO3/c1-10-5-11(2)7-12(6-10)17(20)19-14-9-15(21-3)13(18)8-16(14)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyIEGOFWXGSLNJCU-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.23
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide

N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide (PubChem CID 918553) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
PubChem CID918553
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
SMILESCOc1cc(NC(=O)c2cc(C)cc(C)c2)c(OC)cc1Cl
InChIInChI=1S/C17H18ClNO3/c1-10-5-11(2)7-12(6-10)17(20)19-14-9-15(21-3)13(18)8-16(14)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyIEGOFWXGSLNJCU-UHFFFAOYSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 17401848
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(4-chloro-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825951
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954485
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108991921

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide (CID 918553) is N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide is COc1cc(NC(=O)c2cc(C)cc(C)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide?
The InChIKey is IEGOFWXGSLNJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-10-5-11(2)7-12(6-10)17(20)19-14-9-15(21-3)13(18)8-16(14)22-4/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide has a molecular weight of 319.79 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 918553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).