3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide

C19H22FN3O3 — CID 119709950

IUPAC3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
SMILESCNCC(C)C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C19H22FN3O3/c1-12(11-21-2)18(24)22-15-7-8-17(26-3)16(10-15)23-19(25)13-5-4-6-14(20)9-13/h4-10,12,21H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDYUJLQZCHDYSLA-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.88
Rot. Bonds7

About 3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide

3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide (PubChem CID 119709950) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
PubChem CID119709950
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
SMILESCNCC(C)C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C19H22FN3O3/c1-12(11-21-2)18(24)22-15-7-8-17(26-3)16(10-15)23-19(25)13-5-4-6-14(20)9-13/h4-10,12,21H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDYUJLQZCHDYSLA-UHFFFAOYSA-N
XLogP2.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-[2-methoxy-5-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]phenyl]benzamide
CID 47065290
N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196660
3-fluoro-N-[2-methoxy-5-[[1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]amino]phenyl]benzamide
CID 60542555
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725477

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide (CID 119709950) is 3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide is CNCC(C)C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide?
The InChIKey is DYUJLQZCHDYSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12(11-21-2)18(24)22-15-7-8-17(26-3)16(10-15)23-19(25)13-5-4-6-14(20)9-13/h4-10,12,21H,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide?
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide has a molecular weight of 359.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide is sourced from PubChem (CID 119709950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).