3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide

C16H17ClN2O — CID 43181477

IUPAC3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)c2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11(14-8-3-4-9-15(14)17)19-13-7-5-6-12(10-13)16(20)18-2/h3-11,19H,1-2H3,(H,18,20)
InChIKeyBZAARAIKUAHXCR-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.87
Rot. Bonds4

About 3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide

3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide (PubChem CID 43181477) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
PubChem CID43181477
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)c2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11(14-8-3-4-9-15(14)17)19-13-7-5-6-12(10-13)16(20)18-2/h3-11,19H,1-2H3,(H,18,20)
InChIKeyBZAARAIKUAHXCR-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43202783
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627
4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide
CID 43721017
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43781065
3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 134037507
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide?
The IUPAC name of 3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide (CID 43181477) is 3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(C)c2ccccc2Cl)c1.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide?
The InChIKey is BZAARAIKUAHXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(14-8-3-4-9-15(14)17)19-13-7-5-6-12(10-13)16(20)18-2/h3-11,19H,1-2H3,(H,18,20).
What are the key properties of 3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide?
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 43181477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).