2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide

C12H15ClN2O2 — CID 43575514

IUPAC2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
SMILESNc1ccc(Cl)cc1C(=O)N(CCO)C1CC1
InChIInChI=1S/C12H15ClN2O2/c13-8-1-4-11(14)10(7-8)12(17)15(5-6-16)9-2-3-9/h1,4,7,9,16H,2-3,5-6,14H2
InChIKeyHGLZITWDYHZRPG-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide

2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide (PubChem CID 43575514) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
PubChem CID43575514
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
SMILESNc1ccc(Cl)cc1C(=O)N(CCO)C1CC1
InChIInChI=1S/C12H15ClN2O2/c13-8-1-4-11(14)10(7-8)12(17)15(5-6-16)9-2-3-9/h1,4,7,9,16H,2-3,5-6,14H2
InChIKeyHGLZITWDYHZRPG-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.52
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-5-chloro-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61110797
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
2-amino-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 107074484
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 102870405
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 62816289
2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 115540101
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 62174801
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide (CID 43575514) is 2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide is Nc1ccc(Cl)cc1C(=O)N(CCO)C1CC1.
What is the InChIKey of 2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is HGLZITWDYHZRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-8-1-4-11(14)10(7-8)12(17)15(5-6-16)9-2-3-9/h1,4,7,9,16H,2-3,5-6,14H2.
What are the key properties of 2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 254.72 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 43575514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).