2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide

C11H15ClN2O2 — CID 62334921

IUPAC2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
SMILESCC(O)CN(C)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H15ClN2O2/c1-7(15)6-14(2)11(16)9-4-3-8(12)5-10(9)13/h3-5,7,15H,6,13H2,1-2H3
InChIKeyOZQMIUFUIBIWGH-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide

2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide (PubChem CID 62334921) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
PubChem CID62334921
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
SMILESCC(O)CN(C)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H15ClN2O2/c1-7(15)6-14(2)11(16)9-4-3-8(12)5-10(9)13/h3-5,7,15H,6,13H2,1-2H3
InChIKeyOZQMIUFUIBIWGH-UHFFFAOYSA-N
XLogP1.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
CID 115611590
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172
2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
CID 64927021

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide (CID 62334921) is 2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide is CC(O)CN(C)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide?
The InChIKey is OZQMIUFUIBIWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(15)6-14(2)11(16)9-4-3-8(12)5-10(9)13/h3-5,7,15H,6,13H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide?
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide has a molecular weight of 242.71 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide is sourced from PubChem (CID 62334921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).