5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

C11H13BrClNO4 — CID 107846792

IUPAC5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESO=C(NC(CO)(CO)CO)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H13BrClNO4/c12-7-1-2-9(13)8(3-7)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6H2,(H,14,18)
InChIKeyUPQQHLOBLRFOPI-UHFFFAOYSA-N
MW338.59 g/mol
LogP0.55
Rot. Bonds5

About 5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (PubChem CID 107846792) has the molecular formula C11H13BrClNO4 and a molecular weight of 338.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
PubChem CID107846792
Molecular FormulaC11H13BrClNO4
Molecular Weight338.59 g/mol
Exact Mass336.97
IUPAC Name5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESO=C(NC(CO)(CO)CO)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H13BrClNO4/c12-7-1-2-9(13)8(3-7)10(18)14-11(4-15,5-16)6-17/h1-3,15-17H,4-6H2,(H,14,18)
InChIKeyUPQQHLOBLRFOPI-UHFFFAOYSA-N
XLogP0.55
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzamide
CID 107844804
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide
CID 62522095
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide
CID 114314430
2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107843370
2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide
CID 114008491
2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107844859
4-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxybenzamide
CID 107865880
N-(2-amino-2-methylpropyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119629541
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
CID 100537060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (CID 107846792) is 5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is O=C(NC(CO)(CO)CO)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The InChIKey is UPQQHLOBLRFOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO4/c12-7-1-2-9(13)8(3-7)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 5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide has a molecular weight of 338.59 g/mol, XLogP of 0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is sourced from PubChem (CID 107846792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).