3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide

C18H19Cl2N3O2 — CID 54813153

IUPAC3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-11(2)22-18(25)12-4-3-5-15(6-12)23-17(24)10-21-16-8-13(19)7-14(20)9-16/h3-9,11,21H,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyZPHQODHWEYXDDK-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.18
Rot. Bonds6

About 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide

3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54813153) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID54813153
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-11(2)22-18(25)12-4-3-5-15(6-12)23-17(24)10-21-16-8-13(19)7-14(20)9-16/h3-9,11,21H,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyZPHQODHWEYXDDK-UHFFFAOYSA-N
XLogP4.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197433
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
methyl 4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54833405
3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54809027
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide (CID 54813153) is 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is ZPHQODHWEYXDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-11(2)22-18(25)12-4-3-5-15(6-12)23-17(24)10-21-16-8-13(19)7-14(20)9-16/h3-9,11,21H,10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide?
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 380.28 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 54813153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).