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

C16H17ClN2O — CID 51178267

IUPACN-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O/c1-12-3-2-4-15(9-12)18-11-16(20)19-10-13-5-7-14(17)8-6-13/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyNXUYEDYBNNLASG-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.38
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide (PubChem CID 51178267) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
PubChem CID51178267
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O/c1-12-3-2-4-15(9-12)18-11-16(20)19-10-13-5-7-14(17)8-6-13/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyNXUYEDYBNNLASG-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999782
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
N-[(4-chlorophenyl)methyl]-2-(3-cyanoanilino)acetamide
CID 26438582
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide
CID 68695951
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
N-[(4-methylphenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814826
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-methylanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide (CID 51178267) is N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide is Cc1cccc(NCC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide?
The InChIKey is NXUYEDYBNNLASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12-3-2-4-15(9-12)18-11-16(20)19-10-13-5-7-14(17)8-6-13/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide has a molecular weight of 288.78 g/mol, XLogP of 3.38, 5 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-methylanilino)acetamide is sourced from PubChem (CID 51178267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).