2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide

C16H18ClN3O — CID 43461333

IUPAC2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide
SMILESNC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccccc1N
InChIInChI=1S/C16H18ClN3O/c17-14-7-5-12(6-8-14)9-20(11-16(19)21)10-13-3-1-2-4-15(13)18/h1-8H,9-11,18H2,(H2,19,21)
InChIKeyNLMGZTLTKLJIFG-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.41
Rot. Bonds6

About 2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide

2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide (PubChem CID 43461333) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide
PubChem CID43461333
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide
SMILESNC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccccc1N
InChIInChI=1S/C16H18ClN3O/c17-14-7-5-12(6-8-14)9-20(11-16(19)21)10-13-3-1-2-4-15(13)18/h1-8H,9-11,18H2,(H2,19,21)
InChIKeyNLMGZTLTKLJIFG-UHFFFAOYSA-N
XLogP2.41
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.41
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-[(3-chlorophenyl)methyl]amino]acetamide
CID 43461381
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
CID 62700876
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
methyl 2-[(2-aminophenyl)methyl-[(4-methylphenyl)methyl]amino]acetate
CID 59049599
2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
CID 43461373
2-amino-6-[[bis(2-amino-2-oxoethyl)amino]methyl]benzoic acid
CID 104824645
2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
2-[(2-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253080
2-[(2-amino-4-chlorophenyl)methyl-butylamino]acetamide
CID 55037491

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide (CID 43461333) is 2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide is NC(=O)CN(Cc1ccc(Cl)cc1)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide?
The InChIKey is NLMGZTLTKLJIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-14-7-5-12(6-8-14)9-20(11-16(19)21)10-13-3-1-2-4-15(13)18/h1-8H,9-11,18H2,(H2,19,21).
What are the key properties of 2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide?
2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide has a molecular weight of 303.79 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-[(4-chlorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 43461333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).