2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide

C16H13Cl2FN2O2 — CID 46756631

IUPAC2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H13Cl2FN2O2/c1-9(15(22)21-14-5-3-2-4-13(14)19)20-16(23)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyNNOIYSJGMOOOEB-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.89
Rot. Bonds4

About 2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide

2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide (PubChem CID 46756631) has the molecular formula C16H13Cl2FN2O2 and a molecular weight of 355.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
PubChem CID46756631
Molecular FormulaC16H13Cl2FN2O2
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H13Cl2FN2O2/c1-9(15(22)21-14-5-3-2-4-13(14)19)20-16(23)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyNNOIYSJGMOOOEB-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 9138352
2-chloro-N-[1-(2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide
CID 78777753
2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide
CID 92664485
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
N-[(2S)-1-(5-chloro-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8928056
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209
2,4-dichloro-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508509
2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 51606040
(2S)-2-(2,5-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 7269908
propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate
CID 110191872
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide (CID 46756631) is 2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F.
What is the InChIKey of 2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide?
The InChIKey is NNOIYSJGMOOOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2/c1-9(15(22)21-14-5-3-2-4-13(14)19)20-16(23)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,20,23)(H,21,22).
What are the key properties of 2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide?
2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide has a molecular weight of 355.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 46756631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).