2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide

C16H14Cl2FNO2 — CID 111102414

IUPAC2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2FNO2/c17-13-8-14(18)15(19)7-12(13)16(22)20-9-11(21)6-10-4-2-1-3-5-10/h1-5,7-8,11,21H,6,9H2,(H,20,22)
InChIKeyMFKMUEMCCRSZDK-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.47
Rot. Bonds5

About 2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide

2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide (PubChem CID 111102414) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
PubChem CID111102414
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2FNO2/c17-13-8-14(18)15(19)7-12(13)16(22)20-9-11(21)6-10-4-2-1-3-5-10/h1-5,7-8,11,21H,6,9H2,(H,20,22)
InChIKeyMFKMUEMCCRSZDK-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102632
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
N-[(1S)-1-aminoperoxy-2-phenylethyl]-2,4-dichloro-5-fluorobenzamide
CID 175109125
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
CID 60587400
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765281
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
2-chloro-N-[4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenyl]benzamide
CID 91343467
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide (CID 111102414) is 2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide is O=C(NCC(O)Cc1ccccc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is MFKMUEMCCRSZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c17-13-8-14(18)15(19)7-12(13)16(22)20-9-11(21)6-10-4-2-1-3-5-10/h1-5,7-8,11,21H,6,9H2,(H,20,22).
What are the key properties of 2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide?
2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide has a molecular weight of 342.20 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 111102414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).