3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide

C16H16Cl2N2O — CID 43100379

IUPAC3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(14-7-6-12(17)9-15(14)18)20-13-5-3-4-11(8-13)16(21)19-2/h3-10,20H,1-2H3,(H,19,21)
InChIKeyBIZUXDHDCCFBGE-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.53
Rot. Bonds4

About 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide

3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide (PubChem CID 43100379) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
PubChem CID43100379
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10(14-7-6-12(17)9-15(14)18)20-13-5-3-4-11(8-13)16(21)19-2/h3-10,20H,1-2H3,(H,19,21)
InChIKeyBIZUXDHDCCFBGE-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375945
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43202783
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43781065
3-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43767555
3-[[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51243989
N-methyl-3-(1-thiophen-2-ylethylamino)benzamide
CID 43202793
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627
5-[1-(2,4-dichlorophenyl)ethylamino]-2-fluorobenzamide
CID 43705401

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide (CID 43100379) is 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide is CNC(=O)c1cccc(NC(C)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide?
The InChIKey is BIZUXDHDCCFBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(14-7-6-12(17)9-15(14)18)20-13-5-3-4-11(8-13)16(21)19-2/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide?
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 43100379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).