4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide

C16H16Cl2N2O — CID 103696962

IUPAC4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(2)16(21)11-3-6-14(7-4-11)19-10-12-9-13(17)5-8-15(12)18/h3-9,19H,10H2,1-2H3
InChIKeyHNBKLLZJNPOHJK-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.31
Rot. Bonds4

About 4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide

4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 103696962) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID103696962
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(2)16(21)11-3-6-14(7-4-11)19-10-12-9-13(17)5-8-15(12)18/h3-9,19H,10H2,1-2H3
InChIKeyHNBKLLZJNPOHJK-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-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946
3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43725482
4-[(2,4-dihydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43681979
4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
CID 65315845
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]ethanol
CID 103845164
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide
CID 46666741
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921583
4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 26507194
4-chloro-2-[(2-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43737609
2-[4-(dimethylcarbamoyl)anilino]acetic acid
CID 58044865
4-[[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 9136923

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide (CID 103696962) is 4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is HNBKLLZJNPOHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20(2)16(21)11-3-6-14(7-4-11)19-10-12-9-13(17)5-8-15(12)18/h3-9,19H,10H2,1-2H3.
What are the key properties of 4-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide?
4-[(2,5-dichlorophenyl)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-[(2,5-dichlorophenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 103696962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).