4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide

C18H21ClN2O2 — CID 119752988

IUPAC4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)c1cccc(C(C)C)c1
InChIInChI=1S/C18H21ClN2O2/c1-11(2)12-6-5-7-13(8-12)21(3)18(22)14-9-15(19)16(20)10-17(14)23-4/h5-11H,20H2,1-4H3
InChIKeyVYJSKXRNFLNDJF-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.33
Rot. Bonds4

About 4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide

4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 119752988) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide
PubChem CID119752988
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)c1cccc(C(C)C)c1
InChIInChI=1S/C18H21ClN2O2/c1-11(2)12-6-5-7-13(8-12)21(3)18(22)14-9-15(19)16(20)10-17(14)23-4/h5-11H,20H2,1-4H3
InChIKeyVYJSKXRNFLNDJF-UHFFFAOYSA-N
XLogP4.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.33
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

4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 119802021
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-amino-5-chloro-2-methoxybenzoate
CID 7414207
4-amino-N-tert-butyl-5-chloro-2-methoxy-N-phenylbenzamide
CID 90104796
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
CID 119691121
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
4-chloro-N-(3-hydroxyphenyl)-2-methoxy-N-methylbenzamide
CID 107735909
4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
CID 119399247
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 47868276
sodium 4-amino-5-chloro-2-methoxybenzoate
CID 24820370
propan-2-yloxycarbonyl 4-amino-5-chloro-2-methoxybenzoate
CID 102269821

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide (CID 119752988) is 4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide is COc1cc(N)c(Cl)cc1C(=O)N(C)c1cccc(C(C)C)c1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is VYJSKXRNFLNDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-11(2)12-6-5-7-13(8-12)21(3)18(22)14-9-15(19)16(20)10-17(14)23-4/h5-11H,20H2,1-4H3.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide?
4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 332.83 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 119752988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).