3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide

C16H16Cl2N2O — CID 61118651

IUPAC3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-10-13(4-3-5-15(10)19)16(21)20(2)9-11-6-7-12(17)8-14(11)18/h3-8H,9,19H2,1-2H3
InChIKeyGXEAXGYFKYRSAH-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.16
Rot. Bonds3

About 3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide

3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide (PubChem CID 61118651) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
PubChem CID61118651
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1c(N)cccc1C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O/c1-10-13(4-3-5-15(10)19)16(21)20(2)9-11-6-7-12(17)8-14(11)18/h3-8H,9,19H2,1-2H3
InChIKeyGXEAXGYFKYRSAH-UHFFFAOYSA-N
XLogP4.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43054352
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
N-[(2-aminophenyl)methyl]-2-bromo-4-chloro-N-methylbenzamide
CID 107986287
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
N-[(2-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860369

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide (CID 61118651) is 3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide is Cc1c(N)cccc1C(=O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is GXEAXGYFKYRSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10-13(4-3-5-15(10)19)16(21)20(2)9-11-6-7-12(17)8-14(11)18/h3-8H,9,19H2,1-2H3.
What are the key properties of 3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide?
3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 61118651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).