2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide

C11H15ClN2O2 — CID 69132143

IUPAC2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCC(C)O)c1N
InChIInChI=1S/C11H15ClN2O2/c1-6-3-8(12)4-9(10(6)13)11(16)14-5-7(2)15/h3-4,7,15H,5,13H2,1-2H3,(H,14,16)
InChIKeyQPYPMDUTUNFZDW-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.34
Rot. Bonds3

About 2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide

2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide (PubChem CID 69132143) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide
PubChem CID69132143
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCC(C)O)c1N
InChIInChI=1S/C11H15ClN2O2/c1-6-3-8(12)4-9(10(6)13)11(16)14-5-7(2)15/h3-4,7,15H,5,13H2,1-2H3,(H,14,16)
InChIKeyQPYPMDUTUNFZDW-UHFFFAOYSA-N
XLogP1.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.34
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-(cyanomethyl)-3-methylbenzamide
CID 150816609
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
N-(2-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 43393371
2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide
CID 121222069
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide
CID 109400562
2-amino-5-chloro-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide
CID 59393586
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide?
The IUPAC name of 2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide (CID 69132143) is 2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide is Cc1cc(Cl)cc(C(=O)NCC(C)O)c1N.
What is the InChIKey of 2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide?
The InChIKey is QPYPMDUTUNFZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-6-3-8(12)4-9(10(6)13)11(16)14-5-7(2)15/h3-4,7,15H,5,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide?
2-amino-5-chloro-N-(2-hydroxypropyl)-3-methylbenzamide has a molecular weight of 242.71 g/mol, XLogP of 1.34, 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-(2-hydroxypropyl)-3-methylbenzamide is sourced from PubChem (CID 69132143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).