3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide

C21H26ClN3O2 — CID 54810385

IUPAC3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H26ClN3O2/c1-3-12-25(13-4-2)21(27)16-6-5-7-19(14-16)24-20(26)15-23-18-10-8-17(22)9-11-18/h5-11,14,23H,3-4,12-13,15H2,1-2H3,(H,24,26)
InChIKeyKIBOMSZPQIGQKD-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.65
Rot. Bonds9

About 3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide

3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54810385) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54810385
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H26ClN3O2/c1-3-12-25(13-4-2)21(27)16-6-5-7-19(14-16)24-20(26)15-23-18-10-8-17(22)9-11-18/h5-11,14,23H,3-4,12-13,15H2,1-2H3,(H,24,26)
InChIKeyKIBOMSZPQIGQKD-UHFFFAOYSA-N
XLogP4.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54842373
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54835986
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54834886
3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820598
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832307
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54840911
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832242

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54810385) is 3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is KIBOMSZPQIGQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-3-12-25(13-4-2)21(27)16-6-5-7-19(14-16)24-20(26)15-23-18-10-8-17(22)9-11-18/h5-11,14,23H,3-4,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of 3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 387.91 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54810385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).