N-benzhydryl-2,4-difluoroaniline

C19H15F2N — CID 82096621

IUPACN-benzhydryl-2,4-difluoroaniline
SMILESFc1ccc(NC(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C19H15F2N/c20-16-11-12-18(17(21)13-16)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H
InChIKeyJQRSSZYCRGKDRB-UHFFFAOYSA-N
MW295.33 g/mol
LogP5.17
Rot. Bonds4

About N-benzhydryl-2,4-difluoroaniline

N-benzhydryl-2,4-difluoroaniline (PubChem CID 82096621) has the molecular formula C19H15F2N and a molecular weight of 295.33 g/mol. Its IUPAC name is N-benzhydryl-2,4-difluoroaniline.

Molecular Properties

Compound NameN-benzhydryl-2,4-difluoroaniline
PubChem CID82096621
Molecular FormulaC19H15F2N
Molecular Weight295.33 g/mol
Exact Mass295.12
IUPAC NameN-benzhydryl-2,4-difluoroaniline
SMILESFc1ccc(NC(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C19H15F2N/c20-16-11-12-18(17(21)13-16)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H
InChIKeyJQRSSZYCRGKDRB-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.33
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 71762912
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CID 19150226
N-benzhydryl-4-fluoro-2-nitroaniline
CID 146162956
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
4-fluoro-2-methyl-N-[phenyl(pyridin-2-yl)methyl]aniline
CID 43825795
2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline
CID 9058434
4-fluoro-N-[(3-methylsulfonylphenyl)-phenylmethyl]-2-nitroaniline
CID 133331978
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107244
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
CID 43195353

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,4-difluoroaniline?
The IUPAC name of N-benzhydryl-2,4-difluoroaniline (CID 82096621) is N-benzhydryl-2,4-difluoroaniline.
What is the SMILES notation for N-benzhydryl-2,4-difluoroaniline?
The canonical SMILES for N-benzhydryl-2,4-difluoroaniline is Fc1ccc(NC(c2ccccc2)c2ccccc2)c(F)c1.
What is the InChIKey of N-benzhydryl-2,4-difluoroaniline?
The InChIKey is JQRSSZYCRGKDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N/c20-16-11-12-18(17(21)13-16)22-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,22H.
What are the key properties of N-benzhydryl-2,4-difluoroaniline?
N-benzhydryl-2,4-difluoroaniline has a molecular weight of 295.33 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,4-difluoroaniline is sourced from PubChem (CID 82096621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).