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

C13H17ClN2O2 — CID 61140038

IUPAC4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCC2CCCOC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-6-10(15)3-4-11(12)13(17)16-7-9-2-1-5-18-8-9/h3-4,6,9H,1-2,5,7-8,15H2,(H,16,17)
InChIKeyUMOVLSXTOVHBBW-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.08
Rot. Bonds3

About 4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide

4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide (PubChem CID 61140038) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
PubChem CID61140038
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCC2CCCOC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-6-10(15)3-4-11(12)13(17)16-7-9-2-1-5-18-8-9/h3-4,6,9H,1-2,5,7-8,15H2,(H,16,17)
InChIKeyUMOVLSXTOVHBBW-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.08
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

4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
4-chloro-3-(oxan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396604
2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 114922848
5-amino-N-(oxan-3-ylmethyl)-1H-indole-3-carboxamide
CID 63116756
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
CID 62160787

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide (CID 61140038) is 4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide is Nc1ccc(C(=O)NCC2CCCOC2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is UMOVLSXTOVHBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-6-10(15)3-4-11(12)13(17)16-7-9-2-1-5-18-8-9/h3-4,6,9H,1-2,5,7-8,15H2,(H,16,17).
What are the key properties of 4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide?
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 268.74 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 61140038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).