N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide

C15H14BrFN2O — CID 65435679

IUPACN-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C15H14BrFN2O/c1-10(20)19-12-4-2-11(3-5-12)9-18-13-6-7-14(16)15(17)8-13/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyPJFMJZINEHYIAK-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.16
Rot. Bonds4

About N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide

N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide (PubChem CID 65435679) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide
PubChem CID65435679
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc(Br)c(F)c2)cc1
InChIInChI=1S/C15H14BrFN2O/c1-10(20)19-12-4-2-11(3-5-12)9-18-13-6-7-14(16)15(17)8-13/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyPJFMJZINEHYIAK-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
CID 81264226
methyl 5-[(4-bromo-3-fluorophenyl)methylamino]-2-fluorobenzoate
CID 79671769
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
N-(4-bromo-3-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 65436510
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
methyl 3-(4-bromo-3-fluoroanilino)-2,2-dimethylpropanoate
CID 79624702
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
2-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]ethanol
CID 81002416
4-bromo-3-fluoro-N-(furan-3-ylmethyl)aniline
CID 65435326

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide (CID 65435679) is N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2ccc(Br)c(F)c2)cc1.
What is the InChIKey of N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide?
The InChIKey is PJFMJZINEHYIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-10(20)19-12-4-2-11(3-5-12)9-18-13-6-7-14(16)15(17)8-13/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide?
N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide has a molecular weight of 337.19 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 65435679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).