4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide

C18H17Cl2FN2O2 — CID 55896752

IUPAC4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H17Cl2FN2O2/c1-2-8-22-18(25)12-7-6-11(19)9-16(12)23-17(24)10-13-14(20)4-3-5-15(13)21/h3-7,9H,2,8,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyZVEONCQOCQFSGU-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.45
Rot. Bonds6

About 4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide

4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide (PubChem CID 55896752) has the molecular formula C18H17Cl2FN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide
PubChem CID55896752
Molecular FormulaC18H17Cl2FN2O2
Molecular Weight383.25 g/mol
Exact Mass382.07
IUPAC Name4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H17Cl2FN2O2/c1-2-8-22-18(25)12-7-6-11(19)9-16(12)23-17(24)10-13-14(20)4-3-5-15(13)21/h3-7,9H,2,8,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyZVEONCQOCQFSGU-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933
N-(2-bromo-5-chlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81271948
4-chloro-N-propyl-2-[(2-pyrimidin-5-ylacetyl)amino]benzamide
CID 139006181
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 16547944
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
CID 2235778
N-(2-bromo-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81271848
2-(2-chloro-6-fluorophenyl)-N-(2-ethylphenyl)acetamide
CID 839109
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
4-[5-chloro-2-(propylcarbamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133655
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide (CID 55896752) is 4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide?
The InChIKey is ZVEONCQOCQFSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2/c1-2-8-22-18(25)12-7-6-11(19)9-16(12)23-17(24)10-13-14(20)4-3-5-15(13)21/h3-7,9H,2,8,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide?
4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide has a molecular weight of 383.25 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 55896752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).