2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide

C17H19ClN2O — CID 62980696

IUPAC2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide
SMILESCc1ccc(N)c(C(=O)N(C)C(C)c2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-11-8-9-16(19)14(10-11)17(21)20(3)12(2)13-6-4-5-7-15(13)18/h4-10,12H,19H2,1-3H3
InChIKeyKMQWSUSCTIRAST-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.06
Rot. Bonds3

About 2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide

2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide (PubChem CID 62980696) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide
PubChem CID62980696
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide
SMILESCc1ccc(N)c(C(=O)N(C)C(C)c2ccccc2Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-11-8-9-16(19)14(10-11)17(21)20(3)12(2)13-6-4-5-7-15(13)18/h4-10,12H,19H2,1-3H3
InChIKeyKMQWSUSCTIRAST-UHFFFAOYSA-N
XLogP4.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide
CID 61105024
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 106509859
2-amino-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510545
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2-amino-N-[1-(2-fluorophenyl)ethyl]-5-hydroxy-N-methylbenzamide
CID 107074458
2-amino-5-[1-(2-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979439
2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656503
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide?
The IUPAC name of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide (CID 62980696) is 2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide.
What is the SMILES notation for 2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide?
The canonical SMILES for 2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide is Cc1ccc(N)c(C(=O)N(C)C(C)c2ccccc2Cl)c1.
What is the InChIKey of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide?
The InChIKey is KMQWSUSCTIRAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-8-9-16(19)14(10-11)17(21)20(3)12(2)13-6-4-5-7-15(13)18/h4-10,12H,19H2,1-3H3.
What are the key properties of 2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide?
2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide is sourced from PubChem (CID 62980696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).