3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide

C17H19ClN2O — CID 115930176

IUPAC3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cccc(N)c2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-12-7-9-13(10-8-12)11-20(2)17(21)14-5-4-6-15(19)16(14)18/h4-10H,3,11,19H2,1-2H3
InChIKeyQWNDVUNYNXABKU-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.76
Rot. Bonds4

About 3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide

3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide (PubChem CID 115930176) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
PubChem CID115930176
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cccc(N)c2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-12-7-9-13(10-8-12)11-20(2)17(21)14-5-4-6-15(19)16(14)18/h4-10H,3,11,19H2,1-2H3
InChIKeyQWNDVUNYNXABKU-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.76
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-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide
CID 43401472
3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide
CID 112576109
3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
CID 112574760
3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
3-amino-2-chloro-N-methyl-N-prop-2-ynylbenzamide
CID 112576106
3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 112574764
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate
CID 37417321
N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 79035791
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide (CID 115930176) is 3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2cccc(N)c2Cl)cc1.
What is the InChIKey of 3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
The InChIKey is QWNDVUNYNXABKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-12-7-9-13(10-8-12)11-20(2)17(21)14-5-4-6-15(19)16(14)18/h4-10H,3,11,19H2,1-2H3.
What are the key properties of 3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide?
3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 115930176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).