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

C16H16ClFN2O2 — CID 47064115

IUPACN-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)NCc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H16ClFN2O2/c1-22-15-7-6-13(8-14(15)18)19-10-16(21)20-9-11-2-4-12(17)5-3-11/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyKEFQCGCFHGGRFK-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.22
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide (PubChem CID 47064115) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
PubChem CID47064115
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)NCc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H16ClFN2O2/c1-22-15-7-6-13(8-14(15)18)19-10-16(21)20-9-11-2-4-12(17)5-3-11/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyKEFQCGCFHGGRFK-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26417644
methyl 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 26417354
2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide
CID 43380838
2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55897755
N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide
CID 68695951
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158215
2-(4-chlorophenyl)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 112994111

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide (CID 47064115) is N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide is COc1ccc(NCC(=O)NCc2ccc(Cl)cc2)cc1F.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide?
The InChIKey is KEFQCGCFHGGRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-22-15-7-6-13(8-14(15)18)19-10-16(21)20-9-11-2-4-12(17)5-3-11/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide has a molecular weight of 322.77 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide is sourced from PubChem (CID 47064115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).