N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide

C17H19ClN2O — CID 108996725

IUPACN-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
SMILESCc1cccc(CNCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O/c1-13-3-2-4-15(9-13)10-19-12-17(21)20-11-14-5-7-16(18)8-6-14/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyZXUYKJLPRVDGOH-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.05
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide

N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide (PubChem CID 108996725) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
PubChem CID108996725
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
SMILESCc1cccc(CNCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O/c1-13-3-2-4-15(9-13)10-19-12-17(21)20-11-14-5-7-16(18)8-6-14/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyZXUYKJLPRVDGOH-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-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
2-[(4-chlorophenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992196
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-methyl-2-[(3-methylphenyl)methylamino]acetamide
CID 43214398
N-[(3-methylphenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287743
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
N-[(4-chlorophenyl)methyl]-2-[[6-(hydroxymethyl)-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]amino]acetamide
CID 142039651

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide (CID 108996725) is N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide is Cc1cccc(CNCC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide?
The InChIKey is ZXUYKJLPRVDGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-3-2-4-15(9-13)10-19-12-17(21)20-11-14-5-7-16(18)8-6-14/h2-9,19H,10-12H2,1H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[(3-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-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 108996725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).