2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide

C16H14Cl2FNO — CID 110440797

IUPAC2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FNO/c1-16(2,10-3-6-12(19)7-4-10)20-15(21)13-9-11(17)5-8-14(13)18/h3-9H,1-2H3,(H,20,21)
InChIKeyJONHQVZGLHBIGR-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.80
Rot. Bonds3

About 2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide

2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide (PubChem CID 110440797) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
PubChem CID110440797
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H14Cl2FNO/c1-16(2,10-3-6-12(19)7-4-10)20-15(21)13-9-11(17)5-8-14(13)18/h3-9H,1-2H3,(H,20,21)
InChIKeyJONHQVZGLHBIGR-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-hydroxybenzamide
CID 155523213
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
CID 166667390
2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 60968665
methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
CID 43074427
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide
CID 62056776
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid
CID 121483232
2-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 82546189
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
CID 71977399
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
CID 82546188
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide
CID 86948958

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide (CID 110440797) is 2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide is CC(C)(NC(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide?
The InChIKey is JONHQVZGLHBIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-16(2,10-3-6-12(19)7-4-10)20-15(21)13-9-11(17)5-8-14(13)18/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide?
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide has a molecular weight of 326.20 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide is sourced from PubChem (CID 110440797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).