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

C15H19ClN2O2 — CID 115540392

IUPAC2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H19ClN2O2/c16-13-3-1-2-12(14(13)17)15(19)18(11-4-5-11)8-10-6-7-20-9-10/h1-3,10-11H,4-9,17H2
InChIKeyHICITXYVPRPYGA-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.56
Rot. Bonds4

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

2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 115540392) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID115540392
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C15H19ClN2O2/c16-13-3-1-2-12(14(13)17)15(19)18(11-4-5-11)8-10-6-7-20-9-10/h1-3,10-11H,4-9,17H2
InChIKeyHICITXYVPRPYGA-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride
CID 119715180
4-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 81226868
3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 66482961
2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 115540101
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 55052541
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
2,5-dichloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 114917944
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
2-amino-3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzamide
CID 102858927
3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 93318244
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide (CID 115540392) is 2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide is Nc1c(Cl)cccc1C(=O)N(CC1CCOC1)C1CC1.
What is the InChIKey of 2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is HICITXYVPRPYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-3-1-2-12(14(13)17)15(19)18(11-4-5-11)8-10-6-7-20-9-10/h1-3,10-11H,4-9,17H2.
What are the key properties of 2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 294.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 115540392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).