3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide

C18H19ClN2O4 — CID 39133027

IUPAC3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1
InChIInChI=1S/C18H19ClN2O4/c1-10-5-6-11(17(22)20-2)8-14(10)21-18(23)12-7-13(19)16(25-4)15(9-12)24-3/h5-9H,1-4H3,(H,20,22)(H,21,23)
InChIKeySFBRVMAYOPLPHC-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.28
Rot. Bonds5

About 3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide

3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide (PubChem CID 39133027) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide
PubChem CID39133027
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1
InChIInChI=1S/C18H19ClN2O4/c1-10-5-6-11(17(22)20-2)8-14(10)21-18(23)12-7-13(19)16(25-4)15(9-12)24-3/h5-9H,1-4H3,(H,20,22)(H,21,23)
InChIKeySFBRVMAYOPLPHC-UHFFFAOYSA-N
XLogP3.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 26576594
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 115629999
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 87004486
3-benzamido-N,4-dimethylbenzamide
CID 17226324
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
7-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 43063185

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide (CID 39133027) is 3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is SFBRVMAYOPLPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-10-5-6-11(17(22)20-2)8-14(10)21-18(23)12-7-13(19)16(25-4)15(9-12)24-3/h5-9H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide?
3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 362.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 39133027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).