2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide

C12H15ClN2O2 — CID 115540101

IUPAC2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)N(CCO)C1CC1
InChIInChI=1S/C12H15ClN2O2/c13-10-3-1-2-9(11(10)14)12(17)15(6-7-16)8-4-5-8/h1-3,8,16H,4-7,14H2
InChIKeyUUNXAGHATSMBLP-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide

2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide (PubChem CID 115540101) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
PubChem CID115540101
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)N(CCO)C1CC1
InChIInChI=1S/C12H15ClN2O2/c13-10-3-1-2-9(11(10)14)12(17)15(6-7-16)8-4-5-8/h1-3,8,16H,4-7,14H2
InChIKeyUUNXAGHATSMBLP-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-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
CID 102858927
2-amino-N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62662448
2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 115540392
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
2-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 115540234
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
N-cyclopropyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 43576768
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60959224

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide (CID 115540101) is 2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide is Nc1c(Cl)cccc1C(=O)N(CCO)C1CC1.
What is the InChIKey of 2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is UUNXAGHATSMBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-3-1-2-9(11(10)14)12(17)15(6-7-16)8-4-5-8/h1-3,8,16H,4-7,14H2.
What are the key properties of 2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
2-amino-3-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-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 115540101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).