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

C17H17ClN2O4 — CID 26679409

IUPAC3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H17ClN2O4/c1-19-16(21)10-4-6-12(7-5-10)20-17(22)11-8-13(18)15(24-3)14(9-11)23-2/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyLSIXIVVKYCDACC-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.97
Rot. Bonds5

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

3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 26679409) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
PubChem CID26679409
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H17ClN2O4/c1-19-16(21)10-4-6-12(7-5-10)20-17(22)11-8-13(18)15(24-3)14(9-11)23-2/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyLSIXIVVKYCDACC-UHFFFAOYSA-N
XLogP2.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide
CID 39133027
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521138
3,5-dichloro-N-[4-(cyclopropylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51300077

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide (CID 26679409) is 3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is LSIXIVVKYCDACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-19-16(21)10-4-6-12(7-5-10)20-17(22)11-8-13(18)15(24-3)14(9-11)23-2/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 348.79 g/mol, XLogP of 2.97, 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-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 26679409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).