2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide

C22H20FN3O2 — CID 26438041

IUPAC2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
SMILESCc1ccc(NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1F
InChIInChI=1S/C22H20FN3O2/c1-15-11-12-17(13-19(15)23)24-14-21(27)26-20-10-6-5-9-18(20)22(28)25-16-7-3-2-4-8-16/h2-13,24H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyGIPGYXNYFNQMTR-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.44
Rot. Bonds6

About 2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide

2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide (PubChem CID 26438041) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
PubChem CID26438041
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide
SMILESCc1ccc(NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1F
InChIInChI=1S/C22H20FN3O2/c1-15-11-12-17(13-19(15)23)24-14-21(27)26-20-10-6-5-9-18(20)22(28)25-16-7-3-2-4-8-16/h2-13,24H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyGIPGYXNYFNQMTR-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoylphenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 8830519
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9104019
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543586
N-(2,3-dichlorophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100051
2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105938
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
N-(2-acetylphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580969
N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090
2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid
CID 10850874
2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide
CID 86881942
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide (CID 26438041) is 2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide is Cc1ccc(NCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1F.
What is the InChIKey of 2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide?
The InChIKey is GIPGYXNYFNQMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-15-11-12-17(13-19(15)23)24-14-21(27)26-20-10-6-5-9-18(20)22(28)25-16-7-3-2-4-8-16/h2-13,24H,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide?
2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide has a molecular weight of 377.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluoro-4-methylanilino)acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 26438041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).