4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide

C10H11BrClNO2 — CID 43805745

IUPAC4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO2/c1-6(5-14)13-10(15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyHWMXMKUPIJWKGE-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.21
Rot. Bonds3

About 4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide

4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 43805745) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID43805745
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO2/c1-6(5-14)13-10(15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyHWMXMKUPIJWKGE-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859840
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
(2S)-2-[(4-bromo-2-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61172061
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
4-bromo-2-chloro-N-(1-cyanopropyl)benzamide
CID 61119482
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366
2-[(4-bromo-2-chlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 43805447
5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
CID 60631422

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide (CID 43805745) is 4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is HWMXMKUPIJWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-6(5-14)13-10(15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15).
What are the key properties of 4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide?
4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 292.56 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 43805745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).