4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide

C19H20ClN3O3 — CID 55872367

IUPAC4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-4-17(24)21-14-7-5-6-12(10-14)18(25)22-16-11-13(8-9-15(16)20)19(26)23(2)3/h5-11H,4H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyHFTXOSPAAHMGHO-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.64
Rot. Bonds5

About 4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide

4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide (PubChem CID 55872367) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide
PubChem CID55872367
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C19H20ClN3O3/c1-4-17(24)21-14-7-5-6-12(10-14)18(25)22-16-11-13(8-9-15(16)20)19(26)23(2)3/h5-11H,4H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyHFTXOSPAAHMGHO-UHFFFAOYSA-N
XLogP3.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
CID 17309543
N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide (CID 55872367) is 4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide is CCC(=O)Nc1cccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide?
The InChIKey is HFTXOSPAAHMGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-4-17(24)21-14-7-5-6-12(10-14)18(25)22-16-11-13(8-9-15(16)20)19(26)23(2)3/h5-11H,4H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide?
4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide has a molecular weight of 373.84 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide is sourced from PubChem (CID 55872367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).