2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide

C11H13ClFNO4 — CID 114008491

IUPAC2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide
SMILESO=C(NC(CO)(CO)CO)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO4/c12-9-3-7(13)1-2-8(9)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6H2,(H,14,18)
InChIKeyIHXLPAKZJZJIMJ-UHFFFAOYSA-N
MW277.68 g/mol
LogP-0.08
Rot. Bonds5

About 2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide

2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide (PubChem CID 114008491) has the molecular formula C11H13ClFNO4 and a molecular weight of 277.68 g/mol. Its IUPAC name is 2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide
PubChem CID114008491
Molecular FormulaC11H13ClFNO4
Molecular Weight277.68 g/mol
Exact Mass277.05
IUPAC Name2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide
SMILESO=C(NC(CO)(CO)CO)c1ccc(F)cc1Cl
InChIInChI=1S/C11H13ClFNO4/c12-9-3-7(13)1-2-8(9)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6H2,(H,14,18)
InChIKeyIHXLPAKZJZJIMJ-UHFFFAOYSA-N
XLogP-0.08
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluoro-2-methylbenzamide
CID 114008483
2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343249
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate
CID 30876006
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846792
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62520565
4-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-nitrobenzamide
CID 107866662
2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107844859
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114005057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide (CID 114008491) is 2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide is O=C(NC(CO)(CO)CO)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide?
The InChIKey is IHXLPAKZJZJIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4/c12-9-3-7(13)1-2-8(9)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6H2,(H,14,18).
What are the key properties of 2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide?
2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide has a molecular weight of 277.68 g/mol, XLogP of -0.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 114008491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).