3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide

C13H17ClN2O2 — CID 43610598

IUPAC3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1ccc(Cl)c(N)c1)C1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c1-16(10-4-6-18-7-5-10)13(17)9-2-3-11(14)12(15)8-9/h2-3,8,10H,4-7,15H2,1H3
InChIKeyQFXMSKRSWWFNDA-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.17
Rot. Bonds2

About 3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide

3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide (PubChem CID 43610598) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
PubChem CID43610598
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1ccc(Cl)c(N)c1)C1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c1-16(10-4-6-18-7-5-10)13(17)9-2-3-11(14)12(15)8-9/h2-3,8,10H,4-7,15H2,1H3
InChIKeyQFXMSKRSWWFNDA-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.17
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

3-amino-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62680681
3-amino-4-chloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296251
3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367
2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide
CID 43611005
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 62156515
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
3-hydrazinyl-N-methyl-4-nitro-N-(oxan-4-yl)benzamide
CID 62682884
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide (CID 43610598) is 3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide is CN(C(=O)c1ccc(Cl)c(N)c1)C1CCOCC1.
What is the InChIKey of 3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is QFXMSKRSWWFNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(10-4-6-18-7-5-10)13(17)9-2-3-11(14)12(15)8-9/h2-3,8,10H,4-7,15H2,1H3.
What are the key properties of 3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide?
3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 268.74 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 43610598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).