3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide

C22H27FN4O3 — CID 86891096

IUPAC3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN(CCC(N)=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H27FN4O3/c1-3-26(4-2)22(30)16-6-5-7-18(14-16)25-21(29)15-27(13-12-20(24)28)19-10-8-17(23)9-11-19/h5-11,14H,3-4,12-13,15H2,1-2H3,(H2,24,28)(H,25,29)
InChIKeyRMOACWRKLZQHTO-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.63
Rot. Bonds10

About 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide

3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 86891096) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
PubChem CID86891096
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC Name3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN(CCC(N)=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H27FN4O3/c1-3-26(4-2)22(30)16-6-5-7-18(14-16)25-21(29)15-27(13-12-20(24)28)19-10-8-17(23)9-11-19/h5-11,14H,3-4,12-13,15H2,1-2H3,(H2,24,28)(H,25,29)
InChIKeyRMOACWRKLZQHTO-UHFFFAOYSA-N
XLogP2.63
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(N-(3-amino-3-oxopropyl)-4-methoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 17427292
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 55639254
ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate
CID 71853615
3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18103265
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913546

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide (CID 86891096) is 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CN(CCC(N)=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is RMOACWRKLZQHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-3-26(4-2)22(30)16-6-5-7-18(14-16)25-21(29)15-27(13-12-20(24)28)19-10-8-17(23)9-11-19/h5-11,14H,3-4,12-13,15H2,1-2H3,(H2,24,28)(H,25,29).
What are the key properties of 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide?
3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 414.48 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 86891096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).