N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide

C17H19ClN2O — CID 104853952

IUPACN-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
SMILESCc1cc(Cl)ccc1CNCC(=O)NCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13-9-16(18)8-7-15(13)11-19-12-17(21)20-10-14-5-3-2-4-6-14/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyGQMFYWUXJNCJKJ-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.05
Rot. Bonds6

About N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide

N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide (PubChem CID 104853952) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
PubChem CID104853952
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
SMILESCc1cc(Cl)ccc1CNCC(=O)NCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13-9-16(18)8-7-15(13)11-19-12-17(21)20-10-14-5-3-2-4-6-14/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyGQMFYWUXJNCJKJ-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560
N-[2-(3-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996547
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
CID 63324909
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996571
N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
CID 62475319
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
N-benzyl-2-[(2-chloro-5-fluorophenyl)methylamino]acetamide
CID 102615525
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide (CID 104853952) is N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide is Cc1cc(Cl)ccc1CNCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide?
The InChIKey is GQMFYWUXJNCJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-9-16(18)8-7-15(13)11-19-12-17(21)20-10-14-5-3-2-4-6-14/h2-9,19H,10-12H2,1H3,(H,20,21).
What are the key properties of N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide?
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 104853952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).