4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride

C15H20Cl2N2O2 — CID 119715180

IUPAC4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)N(CC2CCOC2)C2CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2.ClH/c16-14-7-11(17)1-4-13(14)15(19)18(12-2-3-12)8-10-5-6-20-9-10;/h1,4,7,10,12H,2-3,5-6,8-9,17H2;1H
InChIKeyWUNNSILSDUFMTQ-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.99
Rot. Bonds4

About 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride

4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119715180) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride
PubChem CID119715180
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)N(CC2CCOC2)C2CC2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2.ClH/c16-14-7-11(17)1-4-13(14)15(19)18(12-2-3-12)8-10-5-6-20-9-10;/h1,4,7,10,12H,2-3,5-6,8-9,17H2;1H
InChIKeyWUNNSILSDUFMTQ-UHFFFAOYSA-N
XLogP2.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 115540392
3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 66482961
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
4-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 81226868
2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114917944
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 16787456
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 55052541
4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride (CID 119715180) is 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride is Cl.Nc1ccc(C(=O)N(CC2CCOC2)C2CC2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is WUNNSILSDUFMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2.ClH/c16-14-7-11(17)1-4-13(14)15(19)18(12-2-3-12)8-10-5-6-20-9-10;/h1,4,7,10,12H,2-3,5-6,8-9,17H2;1H.
What are the key properties of 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride?
4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 331.24 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119715180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).