methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate

C24H23ClN2O3 — CID 4182232

IUPACmethyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate
SMILESCOC(=O)CNC(c1ccccc1)c1cc(C)ccc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H23ClN2O3/c1-16-11-12-21(27-24(29)18-9-6-10-19(25)14-18)20(13-16)23(26-15-22(28)30-2)17-7-4-3-5-8-17/h3-14,23,26H,15H2,1-2H3,(H,27,29)
InChIKeyPLXOOIZVUGWKPU-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.75
Rot. Bonds7

About methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate

methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate (PubChem CID 4182232) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate
PubChem CID4182232
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Namemethyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate
SMILESCOC(=O)CNC(c1ccccc1)c1cc(C)ccc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H23ClN2O3/c1-16-11-12-21(27-24(29)18-9-6-10-19(25)14-18)20(13-16)23(26-15-22(28)30-2)17-7-4-3-5-8-17/h3-14,23,26H,15H2,1-2H3,(H,27,29)
InChIKeyPLXOOIZVUGWKPU-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate?
The IUPAC name of methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate (CID 4182232) is methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate?
The canonical SMILES for methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate is COC(=O)CNC(c1ccccc1)c1cc(C)ccc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate?
The InChIKey is PLXOOIZVUGWKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-16-11-12-21(27-24(29)18-9-6-10-19(25)14-18)20(13-16)23(26-15-22(28)30-2)17-7-4-3-5-8-17/h3-14,23,26H,15H2,1-2H3,(H,27,29).
What are the key properties of methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate?
methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate has a molecular weight of 422.91 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-[(3-chlorobenzoyl)amino]-5-methylphenyl]-phenylmethyl]amino]acetate is sourced from PubChem (CID 4182232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).