5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide

C11H13BrClNO — CID 93417126

IUPAC5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
SMILESCC[C@H](C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H13BrClNO/c1-3-7(2)14-11(15)9-6-8(12)4-5-10(9)13/h4-7H,3H2,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyRVLZWSWDZXQZDC-ZETCQYMHSA-N
MW290.59 g/mol
LogP3.63
Rot. Bonds3

About 5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide

5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide (PubChem CID 93417126) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
PubChem CID93417126
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
SMILESCC[C@H](C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H13BrClNO/c1-3-7(2)14-11(15)9-6-8(12)4-5-10(9)13/h4-7H,3H2,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyRVLZWSWDZXQZDC-ZETCQYMHSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115662149
5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
CID 60631422
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950545
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950546
5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733019
5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 17327083

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide?
The IUPAC name of 5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide (CID 93417126) is 5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide.
What is the SMILES notation for 5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide?
The canonical SMILES for 5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide is CC[C@H](C)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide?
The InChIKey is RVLZWSWDZXQZDC-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-3-7(2)14-11(15)9-6-8(12)4-5-10(9)13/h4-7H,3H2,1-2H3,(H,14,15)/t7-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide?
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide has a molecular weight of 290.59 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 93417126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).