2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide

C16H18ClN3O — CID 43458599

IUPAC2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1N
InChIInChI=1S/C16H18ClN3O/c1-20(10-12-5-2-3-8-15(12)18)11-16(21)19-14-7-4-6-13(17)9-14/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyOZNODTOJTNFHLD-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.99
Rot. Bonds5

About 2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide

2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide (PubChem CID 43458599) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
PubChem CID43458599
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1N
InChIInChI=1S/C16H18ClN3O/c1-20(10-12-5-2-3-8-15(12)18)11-16(21)19-14-7-4-6-13(17)9-14/h2-9H,10-11,18H2,1H3,(H,19,21)
InChIKeyOZNODTOJTNFHLD-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
CID 43458595
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
N-(3-aminophenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 61416513
N-(3-chlorophenyl)-2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetamide
CID 37131235
2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 86794347
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide (CID 43458599) is 2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide is CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide?
The InChIKey is OZNODTOJTNFHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(10-12-5-2-3-8-15(12)18)11-16(21)19-14-7-4-6-13(17)9-14/h2-9H,10-11,18H2,1H3,(H,19,21).
What are the key properties of 2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide?
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 43458599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).