N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide

C16H16ClFN2O — CID 26437770

IUPACN-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
SMILESCc1ccc(F)cc1NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-11-2-7-14(18)8-15(11)19-10-16(21)20-9-12-3-5-13(17)6-4-12/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyBGZPZWPYLXHYAL-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.52
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide

N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide (PubChem CID 26437770) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
PubChem CID26437770
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
SMILESCc1ccc(F)cc1NCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-11-2-7-14(18)8-15(11)19-10-16(21)20-9-12-3-5-13(17)6-4-12/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyBGZPZWPYLXHYAL-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60537701
2-(5-fluoro-2-methylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31667661
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 37476152
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
2-(3-chloro-2-methylanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29451919
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 56787287
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide (CID 26437770) is N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide is Cc1ccc(F)cc1NCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide?
The InChIKey is BGZPZWPYLXHYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-11-2-7-14(18)8-15(11)19-10-16(21)20-9-12-3-5-13(17)6-4-12/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide has a molecular weight of 306.77 g/mol, XLogP of 3.52, 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-(5-fluoro-2-methylanilino)acetamide is sourced from PubChem (CID 26437770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).