2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide

C16H14Cl2FNO — CID 9457236

IUPAC2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
SMILESC[C@@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H14Cl2FNO/c1-10(11-5-3-2-4-6-11)9-20-16(21)12-7-15(19)14(18)8-13(12)17/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeyNOHQZAYKZWYEEA-JTQLQIEISA-N
MW326.20 g/mol
LogP4.67
Rot. Bonds4

About 2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide

2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide (PubChem CID 9457236) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
PubChem CID9457236
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
SMILESC[C@@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H14Cl2FNO/c1-10(11-5-3-2-4-6-11)9-20-16(21)12-7-15(19)14(18)8-13(12)17/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeyNOHQZAYKZWYEEA-JTQLQIEISA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102414
4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9089971
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
CID 115678208
4-fluoro-2-hydroxy-N-(2-phenylpropyl)benzamide
CID 103829491
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662542
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide (CID 9457236) is 2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide is C[C@@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide?
The InChIKey is NOHQZAYKZWYEEA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-10(11-5-3-2-4-6-11)9-20-16(21)12-7-15(19)14(18)8-13(12)17/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of 2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide?
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide has a molecular weight of 326.20 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide is sourced from PubChem (CID 9457236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).