N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide

C22H18Cl2N2O3 — CID 22778979

IUPACN-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-13-10-16(8-9-19(13)26-21(27)14-6-4-3-5-7-14)25-22(28)17-11-15(23)12-18(24)20(17)29-2/h3-12H,1-2H3,(H,25,28)(H,26,27)
InChIKeyAUXQGWFKLNXOSG-UHFFFAOYSA-N
MW429.30 g/mol
LogP5.82
Rot. Bonds5

About N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide

N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide (PubChem CID 22778979) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide
PubChem CID22778979
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC NameN-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-13-10-16(8-9-19(13)26-21(27)14-6-4-3-5-7-14)25-22(28)17-11-15(23)12-18(24)20(17)29-2/h3-12H,1-2H3,(H,25,28)(H,26,27)
InChIKeyAUXQGWFKLNXOSG-UHFFFAOYSA-N
XLogP5.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 3433416
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
3,5-dichloro-2-methoxy-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 22778984
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
N-[4-[(3,5-dichloro-2-methoxybenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21214817
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
2-benzoyl-N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23935500
3,5-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide
CID 2993805
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920
3,5-dichloro-N-(3-fluorophenyl)-2-methoxybenzamide
CID 17102002
N-(4-benzamido-3-methylphenyl)-2-chloro-4-nitrobenzamide
CID 23737728

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide?
The IUPAC name of N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide (CID 22778979) is N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide.
What is the SMILES notation for N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide?
The canonical SMILES for N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide?
The InChIKey is AUXQGWFKLNXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c1-13-10-16(8-9-19(13)26-21(27)14-6-4-3-5-7-14)25-22(28)17-11-15(23)12-18(24)20(17)29-2/h3-12H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide?
N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide has a molecular weight of 429.30 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide is sourced from PubChem (CID 22778979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).