3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide

C11H13BrClNO2 — CID 103842962

IUPAC3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClNO2/c1-7(4-5-15)14-11(16)8-2-3-10(13)9(12)6-8/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyLZHHPJHAUOJLCS-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.60
Rot. Bonds4

About 3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide

3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide (PubChem CID 103842962) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
PubChem CID103842962
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClNO2/c1-7(4-5-15)14-11(16)8-2-3-10(13)9(12)6-8/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyLZHHPJHAUOJLCS-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854902
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 107999560
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbutanoic acid
CID 107997954
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107998015
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
3-bromo-N-(1-bromopentan-3-yl)-4-chlorobenzamide
CID 107994222
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide (CID 103842962) is 3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide is CC(CCO)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide?
The InChIKey is LZHHPJHAUOJLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(4-5-15)14-11(16)8-2-3-10(13)9(12)6-8/h2-3,6-7,15H,4-5H2,1H3,(H,14,16).
What are the key properties of 3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide?
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide has a molecular weight of 306.59 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 103842962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).