methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate

C25H23ClN2O5 — CID 46425036

IUPACmethyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C25H23ClN2O5/c1-32-24(30)16-33-19-11-7-10-18(14-19)27-23(29)15-22(17-8-3-2-4-9-17)28-25(31)20-12-5-6-13-21(20)26/h2-14,22H,15-16H2,1H3,(H,27,29)(H,28,31)
InChIKeyAKQZKPUWCHRYFY-UHFFFAOYSA-N
MW466.92 g/mol
LogP4.39
Rot. Bonds9

About methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate

methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate (PubChem CID 46425036) has the molecular formula C25H23ClN2O5 and a molecular weight of 466.92 g/mol. Its IUPAC name is methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate
PubChem CID46425036
Molecular FormulaC25H23ClN2O5
Molecular Weight466.92 g/mol
Exact Mass466.13
IUPAC Namemethyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C25H23ClN2O5/c1-32-24(30)16-33-19-11-7-10-18(14-19)27-23(29)15-22(17-8-3-2-4-9-17)28-25(31)20-12-5-6-13-21(20)26/h2-14,22H,15-16H2,1H3,(H,27,29)(H,28,31)
InChIKeyAKQZKPUWCHRYFY-UHFFFAOYSA-N
XLogP4.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.92
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate with MolForge

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2364120
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide
CID 2087143
2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55653915
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
2-[[3-(2-methoxy-2-oxoethoxy)phenyl]carbamoyl]benzoic acid
CID 17359941
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
[2-(4-carbamoylanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2519734
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 60540296

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate (CID 46425036) is methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)CC(NC(=O)c2ccccc2Cl)c2ccccc2)c1.
What is the InChIKey of methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate?
The InChIKey is AKQZKPUWCHRYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O5/c1-32-24(30)16-33-19-11-7-10-18(14-19)27-23(29)15-22(17-8-3-2-4-9-17)28-25(31)20-12-5-6-13-21(20)26/h2-14,22H,15-16H2,1H3,(H,27,29)(H,28,31).
What are the key properties of methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate?
methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate has a molecular weight of 466.92 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate is sourced from PubChem (CID 46425036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).