N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide

C24H22ClFN2O4 — CID 55725477

IUPACN-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1Cl
InChIInChI=1S/C24H22ClFN2O4/c1-31-21-9-6-15(12-19(21)25)7-11-23(29)27-18-8-10-22(32-2)20(14-18)28-24(30)16-4-3-5-17(26)13-16/h3-6,8-10,12-14H,7,11H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyYLAQSUIHDJGLGU-UHFFFAOYSA-N
MW456.90 g/mol
LogP5.32
Rot. Bonds8

About N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide

N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide (PubChem CID 55725477) has the molecular formula C24H22ClFN2O4 and a molecular weight of 456.90 g/mol. Its IUPAC name is N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
PubChem CID55725477
Molecular FormulaC24H22ClFN2O4
Molecular Weight456.90 g/mol
Exact Mass456.13
IUPAC NameN-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1Cl
InChIInChI=1S/C24H22ClFN2O4/c1-31-21-9-6-15(12-19(21)25)7-11-23(29)27-18-8-10-22(32-2)20(14-18)28-24(30)16-4-3-5-17(26)13-16/h3-6,8-10,12-14H,7,11H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyYLAQSUIHDJGLGU-UHFFFAOYSA-N
XLogP5.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.90
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 46487241
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N-[5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-2-methoxyphenyl]-3-fluorobenzamide
CID 55725621
2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide
CID 112827442
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
3-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55512022
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide?
The IUPAC name of N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide (CID 55725477) is N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide is COc1ccc(CCC(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1Cl.
What is the InChIKey of N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide?
The InChIKey is YLAQSUIHDJGLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O4/c1-31-21-9-6-15(12-19(21)25)7-11-23(29)27-18-8-10-22(32-2)20(14-18)28-24(30)16-4-3-5-17(26)13-16/h3-6,8-10,12-14H,7,11H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide?
N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide has a molecular weight of 456.90 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-methoxyphenyl]-3-fluorobenzamide is sourced from PubChem (CID 55725477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).