N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide

C15H14ClFN2O — CID 61062398

IUPACN-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(Cl)c(F)c1)NCc1ccccc1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-6-12(8-14(13)17)18-10-15(20)19-9-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,19,20)
InChIKeyCEYYDKJPZXDNSH-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.21
Rot. Bonds5

About N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide

N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide (PubChem CID 61062398) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
PubChem CID61062398
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(Cl)c(F)c1)NCc1ccccc1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-6-12(8-14(13)17)18-10-15(20)19-9-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,19,20)
InChIKeyCEYYDKJPZXDNSH-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 62538297
2-(4-chloro-3-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 47313465
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
N-benzyl-2-[(2-chloro-5-fluorophenyl)methylamino]acetamide
CID 102615525
N-benzyl-2-(2,4,6-trichloroanilino)acetamide
CID 28992616
N-benzyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815218
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
2-(4-chloro-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60536545
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide?
The IUPAC name of N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide (CID 61062398) is N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide?
The canonical SMILES for N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide is O=C(CNc1ccc(Cl)c(F)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide?
The InChIKey is CEYYDKJPZXDNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-7-6-12(8-14(13)17)18-10-15(20)19-9-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,19,20).
What are the key properties of N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide?
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide has a molecular weight of 292.74 g/mol, XLogP of 3.21, 5 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-3-fluoroanilino)acetamide is sourced from PubChem (CID 61062398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).