4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide

C27H28F2N2O4 — CID 18839435

IUPAC4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
SMILESCOc1cc(C(NC(=O)c2ccc(F)cc2)NC(=O)c2ccc(F)cc2)ccc1OCCC(C)C
InChIInChI=1S/C27H28F2N2O4/c1-17(2)14-15-35-23-13-8-20(16-24(23)34-3)25(30-26(32)18-4-9-21(28)10-5-18)31-27(33)19-6-11-22(29)12-7-19/h4-13,16-17,25H,14-15H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyGOOFDRGBDBPYPH-UHFFFAOYSA-N
MW482.53 g/mol
LogP5.26
Rot. Bonds10

About 4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide

4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide (PubChem CID 18839435) has the molecular formula C27H28F2N2O4 and a molecular weight of 482.53 g/mol. Its IUPAC name is 4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
PubChem CID18839435
Molecular FormulaC27H28F2N2O4
Molecular Weight482.53 g/mol
Exact Mass482.20
IUPAC Name4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
SMILESCOc1cc(C(NC(=O)c2ccc(F)cc2)NC(=O)c2ccc(F)cc2)ccc1OCCC(C)C
InChIInChI=1S/C27H28F2N2O4/c1-17(2)14-15-35-23-13-8-20(16-24(23)34-3)25(30-26(32)18-4-9-21(28)10-5-18)31-27(33)19-6-11-22(29)12-7-19/h4-13,16-17,25H,14-15H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyGOOFDRGBDBPYPH-UHFFFAOYSA-N
XLogP5.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[[(4-fluorobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 18839438
N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18890095
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 18839441
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112790971
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
4-bromo-N-[[(4-bromobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 5209328
4-chloro-N-[[(4-chlorobenzoyl)amino]-(3-methoxy-4-nonoxyphenyl)methyl]benzamide
CID 18839362
4-bromo-N-[[(4-bromobenzoyl)amino]-(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 4512108
methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(3-methylbutoxy)benzoyl]amino]propanoate
CID 46657435
5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide
CID 46556890
N-[[4-methoxy-3-(3-methylbutoxy)phenyl]-[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2-(4-methoxyphenyl)acetamide
CID 18890110

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide (CID 18839435) is 4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide is COc1cc(C(NC(=O)c2ccc(F)cc2)NC(=O)c2ccc(F)cc2)ccc1OCCC(C)C.
What is the InChIKey of 4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide?
The InChIKey is GOOFDRGBDBPYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O4/c1-17(2)14-15-35-23-13-8-20(16-24(23)34-3)25(30-26(32)18-4-9-21(28)10-5-18)31-27(33)19-6-11-22(29)12-7-19/h4-13,16-17,25H,14-15H2,1-3H3,(H,30,32)(H,31,33).
What are the key properties of 4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide?
4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide has a molecular weight of 482.53 g/mol, XLogP of 5.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 18839435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).