2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide

C15H14Cl2N2O — CID 43601974

IUPAC2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-18-9-10-4-2-5-11(8-10)19-15(20)12-6-3-7-13(16)14(12)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyRRNAXRPDIKEYLY-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.97
Rot. Bonds4

About 2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide

2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide (PubChem CID 43601974) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
PubChem CID43601974
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-18-9-10-4-2-5-11(8-10)19-15(20)12-6-3-7-13(16)14(12)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyRRNAXRPDIKEYLY-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55893391
2,3-dichloro-N-phenylbenzamide
CID 7732866
2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
2-hydroxy-5-iodo-N-[3-(methylaminomethyl)phenyl]benzamide
CID 107732038
2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923898
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
6-[[3-(methylaminomethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 61408010
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide (CID 43601974) is 2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide is CNCc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide?
The InChIKey is RRNAXRPDIKEYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-18-9-10-4-2-5-11(8-10)19-15(20)12-6-3-7-13(16)14(12)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide?
2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide has a molecular weight of 309.20 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43601974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).