2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide

C10H13ClN2O2 — CID 93081140

IUPAC2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@H](CO)NC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C10H13ClN2O2/c1-6(5-14)13-10(15)8-4-7(11)2-3-9(8)12/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyAIFYZIGBMYJABG-ZCFIWIBFSA-N
MW228.68 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide

2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide (PubChem CID 93081140) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
PubChem CID93081140
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@H](CO)NC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C10H13ClN2O2/c1-6(5-14)13-10(15)8-4-7(11)2-3-9(8)12/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyAIFYZIGBMYJABG-ZCFIWIBFSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816
2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843254
2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 94334111
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
CID 174472101
5-amino-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93091479
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 166304512
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 43805745

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The IUPAC name of 2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide (CID 93081140) is 2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The canonical SMILES for 2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide is C[C@H](CO)NC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
The InChIKey is AIFYZIGBMYJABG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6(5-14)13-10(15)8-4-7(11)2-3-9(8)12/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1.
What are the key properties of 2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide?
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide has a molecular weight of 228.68 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 93081140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).