4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide

C16H16Cl2N2O — CID 60937647

IUPAC4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(10-13-3-2-4-14(17)15(13)18)16(21)12-7-5-11(9-19)6-8-12/h2-8H,9-10,19H2,1H3
InChIKeyJDUBDVXJRLZBMF-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.72
Rot. Bonds4

About 4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide

4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide (PubChem CID 60937647) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
PubChem CID60937647
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(10-13-3-2-4-14(17)15(13)18)16(21)12-7-5-11(9-19)6-8-12/h2-8H,9-10,19H2,1H3
InChIKeyJDUBDVXJRLZBMF-UHFFFAOYSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
4-(carbamoylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 38047200
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
N-[(2,3-dichlorophenyl)methyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 27773732
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 31361004
N-[(2,3-dichlorophenyl)methyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 79692774
N-[(2-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzamide
CID 62242071
N-[(2,3-dichlorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 60628160
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide (CID 60937647) is 4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is JDUBDVXJRLZBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20(10-13-3-2-4-14(17)15(13)18)16(21)12-7-5-11(9-19)6-8-12/h2-8H,9-10,19H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide?
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 60937647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).