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

C13H17ClN2O2 — CID 102858927

IUPAC2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H17ClN2O2/c14-11-6-2-5-10(12(11)15)13(18)16(7-8-17)9-3-1-4-9/h2,5-6,9,17H,1,3-4,7-8,15H2
InChIKeyVFKUNZRVFCLSFB-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.91
Rot. Bonds4

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

2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide (PubChem CID 102858927) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
PubChem CID102858927
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H17ClN2O2/c14-11-6-2-5-10(12(11)15)13(18)16(7-8-17)9-3-1-4-9/h2,5-6,9,17H,1,3-4,7-8,15H2
InChIKeyVFKUNZRVFCLSFB-UHFFFAOYSA-N
XLogP1.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.91
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-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 115540101
2-amino-N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62662448
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897
3-chloro-N-(2-chloroethyl)-N-cyclobutyl-2-fluorobenzamide
CID 102872859
2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 115540392
2-chloro-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 106501618
2-amino-3-chloro-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 115540492
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
4-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 81226502
2-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 115540234
6-chloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 55211893

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide (CID 102858927) is 2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide is Nc1c(Cl)cccc1C(=O)N(CCO)C1CCC1.
What is the InChIKey of 2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is VFKUNZRVFCLSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-6-2-5-10(12(11)15)13(18)16(7-8-17)9-3-1-4-9/h2,5-6,9,17H,1,3-4,7-8,15H2.
What are the key properties of 2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide?
2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.91, 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-cyclobutyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 102858927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).