3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide

C18H18ClN3O3 — CID 38957858

IUPAC3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-11(23)20-14-7-4-12(5-8-14)17(24)21-16-10-13(6-9-15(16)19)18(25)22(2)3/h4-10H,1-3H3,(H,20,23)(H,21,24)
InChIKeyGONJXYVZMLSCLI-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.25
Rot. Bonds4

About 3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide

3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 38957858) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
PubChem CID38957858
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1
InChIInChI=1S/C18H18ClN3O3/c1-11(23)20-14-7-4-12(5-8-14)17(24)21-16-10-13(6-9-15(16)19)18(25)22(2)3/h4-10H,1-3H3,(H,20,23)(H,21,24)
InChIKeyGONJXYVZMLSCLI-UHFFFAOYSA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
4-chloro-3-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 38956339
4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide
CID 55872367
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618132
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
4-chloro-3-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 43071932

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide (CID 38957858) is 3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide is CC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1.
What is the InChIKey of 3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is GONJXYVZMLSCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-11(23)20-14-7-4-12(5-8-14)17(24)21-16-10-13(6-9-15(16)19)18(25)22(2)3/h4-10H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide?
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 359.81 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 38957858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).