3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide

C18H19Cl2N3O2 — CID 54838861

IUPAC3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-6-21-18(25)12-4-3-5-15(7-12)22-11-17(24)23-16-9-13(19)8-14(20)10-16/h3-5,7-10,22H,2,6,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyLYKUVGDYMIMMCD-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.18
Rot. Bonds7

About 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide

3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 54838861) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID54838861
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-2-6-21-18(25)12-4-3-5-15(7-12)22-11-17(24)23-16-9-13(19)8-14(20)10-16/h3-5,7-10,22H,2,6,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyLYKUVGDYMIMMCD-UHFFFAOYSA-N
XLogP4.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54836247
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811111
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55898611
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide (CID 54838861) is 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is LYKUVGDYMIMMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-2-6-21-18(25)12-4-3-5-15(7-12)22-11-17(24)23-16-9-13(19)8-14(20)10-16/h3-5,7-10,22H,2,6,11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide?
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 380.28 g/mol, XLogP of 4.18, 7 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)-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54838861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).