2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide

C10H10Cl2FNO3 — CID 65315016

IUPAC2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide
SMILESO=C(NC(CO)CO)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2FNO3/c11-7-2-8(12)9(13)1-6(7)10(17)14-5(3-15)4-16/h1-2,5,15-16H,3-4H2,(H,14,17)
InChIKeyUOHCQYCWPWUOPN-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.22
Rot. Bonds4

About 2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide

2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide (PubChem CID 65315016) has the molecular formula C10H10Cl2FNO3 and a molecular weight of 282.10 g/mol. Its IUPAC name is 2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide
PubChem CID65315016
Molecular FormulaC10H10Cl2FNO3
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide
SMILESO=C(NC(CO)CO)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C10H10Cl2FNO3/c11-7-2-8(12)9(13)1-6(7)10(17)14-5(3-15)4-16/h1-2,5,15-16H,3-4H2,(H,14,17)
InChIKeyUOHCQYCWPWUOPN-UHFFFAOYSA-N
XLogP1.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252938
4-chloro-2,5-difluoro-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 122147380
2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 30481632
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 82771853
(2R)-2-[(2,4-dichloro-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926607
2,4-dichloro-5-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764766
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoic acid
CID 67781401
2,4-dichloro-5-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46436682
2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-nitrobenzamide
CID 65312867

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide (CID 65315016) is 2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide is O=C(NC(CO)CO)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide?
The InChIKey is UOHCQYCWPWUOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO3/c11-7-2-8(12)9(13)1-6(7)10(17)14-5(3-15)4-16/h1-2,5,15-16H,3-4H2,(H,14,17).
What are the key properties of 2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide?
2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide has a molecular weight of 282.10 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1,3-dihydroxypropan-2-yl)-5-fluorobenzamide is sourced from PubChem (CID 65315016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).