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

C18H17Cl3N2O2 — CID 7930247

IUPAC3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H17Cl3N2O2/c1-2-8-23(18(25)12-4-3-5-13(19)9-12)11-17(24)22-16-10-14(20)6-7-15(16)21/h3-7,9-10H,2,8,11H2,1H3,(H,22,24)
InChIKeyXIXCEYHSMGKBOU-UHFFFAOYSA-N
MW399.71 g/mol
LogP5.14
Rot. Bonds6

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

3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 7930247) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
PubChem CID7930247
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Name3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H17Cl3N2O2/c1-2-8-23(18(25)12-4-3-5-13(19)9-12)11-17(24)22-16-10-14(20)6-7-15(16)21/h3-7,9-10H,2,8,11H2,1H3,(H,22,24)
InChIKeyXIXCEYHSMGKBOU-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.71
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 51330638
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 31185067
3-chloro-N,N-dipropylbenzamide
CID 669182
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 60546451

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide (CID 7930247) is 3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is XIXCEYHSMGKBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-2-8-23(18(25)12-4-3-5-13(19)9-12)11-17(24)22-16-10-14(20)6-7-15(16)21/h3-7,9-10H,2,8,11H2,1H3,(H,22,24).
What are the key properties of 3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 399.71 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 7930247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).