2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide

C16H17ClN2O — CID 63659648

IUPAC2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2c(N)cccc2Cl)c(C)c1
InChIInChI=1S/C16H17ClN2O/c1-9-7-10(2)15(11(3)8-9)19-16(20)14-12(17)5-4-6-13(14)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyPCHXJCKHHINYME-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.10
Rot. Bonds2

About 2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide

2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 63659648) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID63659648
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2c(N)cccc2Cl)c(C)c1
InChIInChI=1S/C16H17ClN2O/c1-9-7-10(2)15(11(3)8-9)19-16(20)14-12(17)5-4-6-13(14)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyPCHXJCKHHINYME-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 63659820
2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide
CID 63663448
methyl 3-[(2-amino-6-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914489
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 63658199
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
2-amino-6-chloro-N-(3-methyl-4-pyridinyl)benzamide
CID 63669500
2-amino-N-(2-chlorophenyl)-6-methylbenzamide
CID 16785685
2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
2-amino-6-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 63658626
8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 100794927
N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide (CID 63659648) is 2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2c(N)cccc2Cl)c(C)c1.
What is the InChIKey of 2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is PCHXJCKHHINYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-9-7-10(2)15(11(3)8-9)19-16(20)14-12(17)5-4-6-13(14)18/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide?
2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 288.78 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 63659648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).