[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate

C25H23F2NO5 — CID 46817744

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate
SMILESCOc1cc(COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C25H23F2NO5/c1-31-22-15-18(12-13-21(22)33-25(26)27)16-32-24(30)20(14-17-8-4-2-5-9-17)28-23(29)19-10-6-3-7-11-19/h2-13,15,20,25H,14,16H2,1H3,(H,28,29)
InChIKeyQBDUNXBJILBKEW-UHFFFAOYSA-N
MW455.46 g/mol
LogP4.38
Rot. Bonds10

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate (PubChem CID 46817744) has the molecular formula C25H23F2NO5 and a molecular weight of 455.46 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate
PubChem CID46817744
Molecular FormulaC25H23F2NO5
Molecular Weight455.46 g/mol
Exact Mass455.15
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate
SMILESCOc1cc(COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C25H23F2NO5/c1-31-22-15-18(12-13-21(22)33-25(26)27)16-32-24(30)20(14-17-8-4-2-5-9-17)28-23(29)19-10-6-3-7-11-19/h2-13,15,20,25H,14,16H2,1H3,(H,28,29)
InChIKeyQBDUNXBJILBKEW-UHFFFAOYSA-N
XLogP4.38
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate with MolForge

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Related Compounds

benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
(3-bromo-4-methoxyphenyl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8575347
methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 720743
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[(2S,3S)-1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24549048
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-4-oxo-4-phenylmethoxybutanoic acid;hydrochloride
CID 175958288
4-chloro-N-[1-[3-(difluoromethoxy)-4-methoxyanilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55533344
2-hydroxyethyl (2S)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 10861285
ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 140996203
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate (CID 46817744) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate is COc1cc(COC(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate?
The InChIKey is QBDUNXBJILBKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO5/c1-31-22-15-18(12-13-21(22)33-25(26)27)16-32-24(30)20(14-17-8-4-2-5-9-17)28-23(29)19-10-6-3-7-11-19/h2-13,15,20,25H,14,16H2,1H3,(H,28,29).
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate has a molecular weight of 455.46 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 46817744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).