2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide

C14H19ClN2O2 — CID 115540489

IUPAC2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
SMILESCN(CC1CCCCO1)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C14H19ClN2O2/c1-17(9-10-5-2-3-8-19-10)14(18)11-6-4-7-12(15)13(11)16/h4,6-7,10H,2-3,5,8-9,16H2,1H3
InChIKeyUQALJCCPMCRDJS-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.56
Rot. Bonds3

About 2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide

2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide (PubChem CID 115540489) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
PubChem CID115540489
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
SMILESCN(CC1CCCCO1)C(=O)c1cccc(Cl)c1N
InChIInChI=1S/C14H19ClN2O2/c1-17(9-10-5-2-3-8-19-10)14(18)11-6-4-7-12(15)13(11)16/h4,6-7,10H,2-3,5,8-9,16H2,1H3
InChIKeyUQALJCCPMCRDJS-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
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

2-amino-6-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 63660209
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55100104
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
N-methyl-2-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 61436480
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 114918226
5-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435982
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
2-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 62179768
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide (CID 115540489) is 2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide is CN(CC1CCCCO1)C(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is UQALJCCPMCRDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(9-10-5-2-3-8-19-10)14(18)11-6-4-7-12(15)13(11)16/h4,6-7,10H,2-3,5,8-9,16H2,1H3.
What are the key properties of 2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide?
2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.56, 3 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-methyl-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 115540489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).