N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide

C22H20FN3O2 — CID 18153818

IUPACN-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2ccccc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FN3O2/c1-15(27)25-18-10-6-16(7-11-18)14-24-22(28)20-4-2-3-5-21(20)26-19-12-8-17(23)9-13-19/h2-13,26H,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyUHRLBMQGAJVQJX-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.46
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide

N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide (PubChem CID 18153818) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide
PubChem CID18153818
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2ccccc2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FN3O2/c1-15(27)25-18-10-6-16(7-11-18)14-24-22(28)20-4-2-3-5-21(20)26-19-12-8-17(23)9-13-19/h2-13,26H,14H2,1H3,(H,24,28)(H,25,27)
InChIKeyUHRLBMQGAJVQJX-UHFFFAOYSA-N
XLogP4.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 155947041
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-benzyl-2-(pyridin-4-ylamino)benzamide
CID 24821329
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-fluoroanilino)benzamide
CID 18110401
4-[[[2-(4-fluoroanilino)benzoyl]amino]methyl]-1H-pyrazole-5-carboxylic acid
CID 166389044
2-[4-(benzylcarbamoyl)anilino]benzoic acid
CID 51066167
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide (CID 18153818) is N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide is CC(=O)Nc1ccc(CNC(=O)c2ccccc2Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide?
The InChIKey is UHRLBMQGAJVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-15(27)25-18-10-6-16(7-11-18)14-24-22(28)20-4-2-3-5-21(20)26-19-12-8-17(23)9-13-19/h2-13,26H,14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide?
N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide has a molecular weight of 377.42 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-(4-fluoroanilino)benzamide is sourced from PubChem (CID 18153818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).