3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

C11H14ClNO2 — CID 786712

IUPAC3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeySCIXBNDJXZMNSE-SNVBAGLBSA-N
MW227.69 g/mol
LogP1.84
Rot. Bonds4

About 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (PubChem CID 786712) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
PubChem CID786712
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeySCIXBNDJXZMNSE-SNVBAGLBSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
3-chloro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981708
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
CID 104981700
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
3-chloro-N-propan-2-ylbenzamide
CID 669184
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (CID 786712) is 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is CC[C@H](CO)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is SCIXBNDJXZMNSE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)/t10-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 227.69 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 786712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).