N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide

C26H28FNO3 — CID 100715760

IUPACN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C(C)C
InChIInChI=1S/C26H28FNO3/c1-17(2)23-14-24(18(3)13-25(23)30-4)26(29)28-15-19-7-11-22(12-8-19)31-16-20-5-9-21(27)10-6-20/h5-14,17H,15-16H2,1-4H3,(H,28,29)
InChIKeyUCIPNOZGNLYTCA-UHFFFAOYSA-N
MW421.51 g/mol
LogP5.78
Rot. Bonds8

About N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide (PubChem CID 100715760) has the molecular formula C26H28FNO3 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
PubChem CID100715760
Molecular FormulaC26H28FNO3
Molecular Weight421.51 g/mol
Exact Mass421.21
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C(C)C
InChIInChI=1S/C26H28FNO3/c1-17(2)23-14-24(18(3)13-25(23)30-4)26(29)28-15-19-7-11-22(12-8-19)31-16-20-5-9-21(27)10-6-20/h5-14,17H,15-16H2,1-4H3,(H,28,29)
InChIKeyUCIPNOZGNLYTCA-UHFFFAOYSA-N
XLogP5.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide 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

5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715734
2-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46586786
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide
CID 100714446
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
CID 92678294
4-methoxy-2-methyl-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-5-propan-2-ylbenzamide
CID 100716391
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100717253
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide
CID 58115535

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide (CID 100715760) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C(C)C.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The InChIKey is UCIPNOZGNLYTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO3/c1-17(2)23-14-24(18(3)13-25(23)30-4)26(29)28-15-19-7-11-22(12-8-19)31-16-20-5-9-21(27)10-6-20/h5-14,17H,15-16H2,1-4H3,(H,28,29).
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide has a molecular weight of 421.51 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 100715760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).