4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide

C15H13Cl3N2O — CID 43720994

IUPAC4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c1-19-15(21)9-5-6-13(18)14(7-9)20-8-10-11(16)3-2-4-12(10)17/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyHAXBZUXMJGIDTD-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.62
Rot. Bonds4

About 4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide

4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide (PubChem CID 43720994) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
PubChem CID43720994
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c1-19-15(21)9-5-6-13(18)14(7-9)20-8-10-11(16)3-2-4-12(10)17/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyHAXBZUXMJGIDTD-UHFFFAOYSA-N
XLogP4.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432293
4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
CID 62345627
4-chloro-3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 43720922
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzamide
CID 79419893
4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
CID 43720990
4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 81147765
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
4-chloro-N-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzamide
CID 43786064
3-[(3-aminothiophen-2-yl)methylamino]-4-chloro-N-methylbenzamide
CID 66387552
4-[(2,6-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 78997216
4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43720989
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide (CID 43720994) is 4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide?
The InChIKey is HAXBZUXMJGIDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c1-19-15(21)9-5-6-13(18)14(7-9)20-8-10-11(16)3-2-4-12(10)17/h2-7,20H,8H2,1H3,(H,19,21).
What are the key properties of 4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide?
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide has a molecular weight of 343.64 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 43720994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).