2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide

C16H17ClN2O — CID 63659820

IUPAC2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-3-11-7-4-6-10(2)15(11)19-16(20)14-12(17)8-5-9-13(14)18/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyIPVYQBZAVNHRTK-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.05
Rot. Bonds3

About 2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide

2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide (PubChem CID 63659820) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
PubChem CID63659820
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide
SMILESCCc1cccc(C)c1NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-3-11-7-4-6-10(2)15(11)19-16(20)14-12(17)8-5-9-13(14)18/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyIPVYQBZAVNHRTK-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.05
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-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285
2-amino-6-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 63659648
3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide
CID 2788457
methyl 3-[(2-amino-6-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914489
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 43337131
2-amino-5-chloro-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 114921441
2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide
CID 112997013
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide (CID 63659820) is 2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide is CCc1cccc(C)c1NC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide?
The InChIKey is IPVYQBZAVNHRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-11-7-4-6-10(2)15(11)19-16(20)14-12(17)8-5-9-13(14)18/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide?
2-amino-6-chloro-N-(2-ethyl-6-methylphenyl)benzamide has a molecular weight of 288.78 g/mol, XLogP of 4.05, 3 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-ethyl-6-methylphenyl)benzamide is sourced from PubChem (CID 63659820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).