methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate

C24H22FNO4 — CID 46657420

IUPACmethyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C24H22FNO4/c1-29-23(27)15-22(18-6-3-2-4-7-18)26-24(28)19-8-5-9-21(14-19)30-16-17-10-12-20(25)13-11-17/h2-14,22H,15-16H2,1H3,(H,26,28)
InChIKeyULCFDVPDMQSIJF-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.44
Rot. Bonds8

About methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate

methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate (PubChem CID 46657420) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate
PubChem CID46657420
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Namemethyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C24H22FNO4/c1-29-23(27)15-22(18-6-3-2-4-7-18)26-24(28)19-8-5-9-21(14-19)30-16-17-10-12-20(25)13-11-17/h2-14,22H,15-16H2,1H3,(H,26,28)
InChIKeyULCFDVPDMQSIJF-UHFFFAOYSA-N
XLogP4.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate
CID 47013808
methyl 3-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 55994649
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 55901297
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893
N-[cyano-(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572178
methyl (3R)-3-[(3-nitrobenzoyl)amino]-3-phenylpropanoate
CID 40856388
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate
CID 55775972
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
CID 141063892

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate (CID 46657420) is methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate is COC(=O)CC(NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate?
The InChIKey is ULCFDVPDMQSIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO4/c1-29-23(27)15-22(18-6-3-2-4-7-18)26-24(28)19-8-5-9-21(14-19)30-16-17-10-12-20(25)13-11-17/h2-14,22H,15-16H2,1H3,(H,26,28).
What are the key properties of methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate?
methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate has a molecular weight of 407.44 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 46657420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).