N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide

C21H18ClFN2O — CID 9099681

IUPACN-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(Cl)cc1F)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H18ClFN2O/c22-17-10-11-20(18(23)13-17)24-14-21(26)25-19-9-5-4-8-16(19)12-15-6-2-1-3-7-15/h1-11,13,24H,12,14H2,(H,25,26)
InChIKeyHCVWJOWQFFSIRX-UHFFFAOYSA-N
MW368.84 g/mol
LogP5.12
Rot. Bonds6

About N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide

N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide (PubChem CID 9099681) has the molecular formula C21H18ClFN2O and a molecular weight of 368.84 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide
PubChem CID9099681
Molecular FormulaC21H18ClFN2O
Molecular Weight368.84 g/mol
Exact Mass368.11
IUPAC NameN-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(Cl)cc1F)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H18ClFN2O/c22-17-10-11-20(18(23)13-17)24-14-21(26)25-19-9-5-4-8-16(19)12-15-6-2-1-3-7-15/h1-11,13,24H,12,14H2,(H,25,26)
InChIKeyHCVWJOWQFFSIRX-UHFFFAOYSA-N
XLogP5.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.84
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzylphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 8903100
N-(2-benzylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 9080869
ethyl 2-[[2-(4-chloro-2-fluoroanilino)acetyl]amino]benzoate
CID 9099668
N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9045802
N-[2-[(4-chloro-2-fluoroanilino)methyl]phenyl]acetamide
CID 66387469
N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377065
N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
3-(2-benzylanilino)-3-oxopropanoic acid
CID 62230739
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 6464374
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide (CID 9099681) is N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide is O=C(CNc1ccc(Cl)cc1F)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide?
The InChIKey is HCVWJOWQFFSIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O/c22-17-10-11-20(18(23)13-17)24-14-21(26)25-19-9-5-4-8-16(19)12-15-6-2-1-3-7-15/h1-11,13,24H,12,14H2,(H,25,26).
What are the key properties of N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide?
N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide has a molecular weight of 368.84 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(4-chloro-2-fluoroanilino)acetamide is sourced from PubChem (CID 9099681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).