4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide

C16H16Cl2N2O — CID 43737609

IUPAC4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1ccccc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-20(2)16(21)13-8-7-12(17)9-15(13)19-10-11-5-3-4-6-14(11)18/h3-9,19H,10H2,1-2H3
InChIKeyLULYTGXHRNQHAE-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.31
Rot. Bonds4

About 4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide

4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 43737609) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID43737609
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCc1ccccc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-20(2)16(21)13-8-7-12(17)9-15(13)19-10-11-5-3-4-6-14(11)18/h3-9,19H,10H2,1-2H3
InChIKeyLULYTGXHRNQHAE-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-aminophenyl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 66419013
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 115951452
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
4-chloro-N,N-dimethyl-2-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758513
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
4-chloro-2-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555357
4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
CID 43737681
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
4-chloro-2-(2,2-dimethoxyethylamino)-N,N-dimethylbenzamide
CID 55234275
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide (CID 43737609) is 4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NCc1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is LULYTGXHRNQHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20(2)16(21)13-8-7-12(17)9-15(13)19-10-11-5-3-4-6-14(11)18/h3-9,19H,10H2,1-2H3.
What are the key properties of 4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43737609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).