3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide

C12H17ClN2O2 — CID 113449800

IUPAC3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide
SMILESCOC(C)(C)CNC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-12(2,17-3)7-15-11(16)8-4-9(13)6-10(14)5-8/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeySMLPTDVCUNDLGN-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide

3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide (PubChem CID 113449800) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide
PubChem CID113449800
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide
SMILESCOC(C)(C)CNC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-12(2,17-3)7-15-11(16)8-4-9(13)6-10(14)5-8/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeySMLPTDVCUNDLGN-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
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

3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104765666
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766737
3-amino-5-chloro-N-(5-methoxypentyl)benzamide
CID 114129389
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
3-amino-5-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179693
2-amino-N-(2-methoxy-2-methylpropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 104765675
4-fluoro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766765
3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 112687782
3-amino-5-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326593
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide (CID 113449800) is 3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide is COC(C)(C)CNC(=O)c1cc(N)cc(Cl)c1.
What is the InChIKey of 3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide?
The InChIKey is SMLPTDVCUNDLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-12(2,17-3)7-15-11(16)8-4-9(13)6-10(14)5-8/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide?
3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide has a molecular weight of 256.73 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 113449800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).