4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide

C20H24FN3O2 — CID 119744059

IUPAC4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
SMILESCNCC(C)C(=O)NC(C)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O2/c1-13(12-22-3)19(25)23-14(2)15-6-10-18(11-7-15)24-20(26)16-4-8-17(21)9-5-16/h4-11,13-14,22H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyYEZAOINMWYWSOA-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.11
Rot. Bonds7

About 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide

4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide (PubChem CID 119744059) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
PubChem CID119744059
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
SMILESCNCC(C)C(=O)NC(C)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O2/c1-13(12-22-3)19(25)23-14(2)15-6-10-18(11-7-15)24-20(26)16-4-8-17(21)9-5-16/h4-11,13-14,22H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyYEZAOINMWYWSOA-UHFFFAOYSA-N
XLogP3.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide 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

N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
CID 175156198
4-chloro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
CID 15955648
N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]oxirane-2-carboxamide
CID 154796734
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
N-[4-[1-[[2-(cyclopropylmethylamino)acetyl]amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119744056
N-[4-[1-[[(2S,3R)-3-(cyclopentylamino)-2-hydroxybutanoyl]amino]ethyl]phenyl]-4-fluorobenzamide
CID 146094037
2-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182088
4-fluoro-N-[4-[1-[2-(4-nitrophenyl)sulfanylpropanoylamino]ethyl]phenyl]benzamide
CID 60538187
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
CID 46792999

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide (CID 119744059) is 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide is CNCC(C)C(=O)NC(C)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide?
The InChIKey is YEZAOINMWYWSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-13(12-22-3)19(25)23-14(2)15-6-10-18(11-7-15)24-20(26)16-4-8-17(21)9-5-16/h4-11,13-14,22H,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide?
4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide has a molecular weight of 357.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 119744059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).