5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide

C13H16Cl2N2O2 — CID 107184869

IUPAC5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCC2CCCCO2)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-6-8(16)5-10(12(11)15)13(18)17-7-9-3-1-2-4-19-9/h5-6,9H,1-4,7,16H2,(H,17,18)
InChIKeyHLAHUJSESVCNMW-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.87
Rot. Bonds3

About 5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide

5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide (PubChem CID 107184869) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide
PubChem CID107184869
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCC2CCCCO2)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-6-8(16)5-10(12(11)15)13(18)17-7-9-3-1-2-4-19-9/h5-6,9H,1-4,7,16H2,(H,17,18)
InChIKeyHLAHUJSESVCNMW-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.87
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

5-amino-2-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 120624842
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
4-bromo-3-(oxan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65370814
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide (CID 107184869) is 5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCC2CCCCO2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is HLAHUJSESVCNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-6-8(16)5-10(12(11)15)13(18)17-7-9-3-1-2-4-19-9/h5-6,9H,1-4,7,16H2,(H,17,18).
What are the key properties of 5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide?
5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 303.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 107184869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).