N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide

C16H13ClF2N2O2 — CID 42960816

IUPACN-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
SMILESCC(NC(=O)c1cc(F)cc(F)c1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClF2N2O2/c1-9(15(22)21-14-4-2-11(17)3-5-14)20-16(23)10-6-12(18)8-13(19)7-10/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyQZPUYENNDMTNKD-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide

N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide (PubChem CID 42960816) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
PubChem CID42960816
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC NameN-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
SMILESCC(NC(=O)c1cc(F)cc(F)c1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClF2N2O2/c1-9(15(22)21-14-4-2-11(17)3-5-14)20-16(23)10-6-12(18)8-13(19)7-10/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKeyQZPUYENNDMTNKD-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 10685889
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
CID 112767596
N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 46744916
N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 25239194
N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 39819250
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide?
The IUPAC name of N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide (CID 42960816) is N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide?
The canonical SMILES for N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide is CC(NC(=O)c1cc(F)cc(F)c1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide?
The InChIKey is QZPUYENNDMTNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c1-9(15(22)21-14-4-2-11(17)3-5-14)20-16(23)10-6-12(18)8-13(19)7-10/h2-9H,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide?
N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide has a molecular weight of 338.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide is sourced from PubChem (CID 42960816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).