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

C13H19ClN2O3 — CID 119790756

IUPAC4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(C)(C)OC
InChIInChI=1S/C13H19ClN2O3/c1-13(2,19-4)7-16-12(17)8-5-9(14)10(15)6-11(8)18-3/h5-6H,7,15H2,1-4H3,(H,16,17)
InChIKeyXMJWJSZAIUZFPN-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.09
Rot. Bonds5

About 4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide

4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide (PubChem CID 119790756) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
PubChem CID119790756
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(C)(C)OC
InChIInChI=1S/C13H19ClN2O3/c1-13(2,19-4)7-16-12(17)8-5-9(14)10(15)6-11(8)18-3/h5-6H,7,15H2,1-4H3,(H,16,17)
InChIKeyXMJWJSZAIUZFPN-UHFFFAOYSA-N
XLogP2.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
CID 119789400
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789399
4-amino-5-chloro-2-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 119787675
4-amino-5-chloro-2-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 119830234
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
(2S)-2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416073
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide (CID 119790756) is 4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide is COc1cc(N)c(Cl)cc1C(=O)NCC(C)(C)OC.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide?
The InChIKey is XMJWJSZAIUZFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-13(2,19-4)7-16-12(17)8-5-9(14)10(15)6-11(8)18-3/h5-6H,7,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide?
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide has a molecular weight of 286.76 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 119790756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).