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

C17H19ClN2O — CID 61105024

IUPAC3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-11-13(8-6-10-16(11)19)17(21)20(3)12(2)14-7-4-5-9-15(14)18/h4-10,12H,19H2,1-3H3
InChIKeyXAKIOLWIFQKQBU-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.06
Rot. Bonds3

About 3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide

3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide (PubChem CID 61105024) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide
PubChem CID61105024
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-11-13(8-6-10-16(11)19)17(21)20(3)12(2)14-7-4-5-9-15(14)18/h4-10,12H,19H2,1-3H3
InChIKeyXAKIOLWIFQKQBU-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

2-amino-N-[1-(2-chlorophenyl)ethyl]-N,5-dimethylbenzamide
CID 62980696
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide
CID 86882760
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide
CID 62978074
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
6-amino-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980332
N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105072124
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide (CID 61105024) is 3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide is Cc1c(N)cccc1C(=O)N(C)C(C)c1ccccc1Cl.
What is the InChIKey of 3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide?
The InChIKey is XAKIOLWIFQKQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-13(8-6-10-16(11)19)17(21)20(3)12(2)14-7-4-5-9-15(14)18/h4-10,12H,19H2,1-3H3.
What are the key properties of 3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide?
3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-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 3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 61105024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).