2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide

C15H12ClF2NO3 — CID 122148768

IUPAC2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)c1ccco1)NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H12ClF2NO3/c1-8(5-13(20)14-3-2-4-22-14)19-15(21)9-6-11(17)12(18)7-10(9)16/h2-4,6-8H,5H2,1H3,(H,19,21)
InChIKeyNPLIMHPFCQCQCN-UHFFFAOYSA-N
MW327.71 g/mol
LogP3.60
Rot. Bonds5

About 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide

2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide (PubChem CID 122148768) has the molecular formula C15H12ClF2NO3 and a molecular weight of 327.71 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide
PubChem CID122148768
Molecular FormulaC15H12ClF2NO3
Molecular Weight327.71 g/mol
Exact Mass327.05
IUPAC Name2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)c1ccco1)NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H12ClF2NO3/c1-8(5-13(20)14-3-2-4-22-14)19-15(21)9-6-11(17)12(18)7-10(9)16/h2-4,6-8H,5H2,1H3,(H,19,21)
InChIKeyNPLIMHPFCQCQCN-UHFFFAOYSA-N
XLogP3.60
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786
2-chloro-4,5-difluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376554
3-bromo-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]furan-2-carboxamide
CID 124591402
2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 51072684
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide
CID 86801279
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide
CID 75500408
2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 30481632
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71919540
2-chloro-N-[1-(4-chloro-2-nitroanilino)propan-2-yl]-4,5-difluorobenzamide
CID 600418
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
N-[4-(3-chloro-4-hydroxyphenoxy)butan-2-yl]furan-2-carboxamide
CID 174383810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide (CID 122148768) is 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide is CC(CC(=O)c1ccco1)NC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide?
The InChIKey is NPLIMHPFCQCQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO3/c1-8(5-13(20)14-3-2-4-22-14)19-15(21)9-6-11(17)12(18)7-10(9)16/h2-4,6-8H,5H2,1H3,(H,19,21).
What are the key properties of 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide?
2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide has a molecular weight of 327.71 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 122148768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).