(3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate

C18H16Cl2N2O4 — CID 3496374

IUPAC(3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O4/c19-14-7-6-12(8-15(14)20)11-26-17(24)10-21-16(23)9-22-18(25)13-4-2-1-3-5-13/h1-8H,9-11H2,(H,21,23)(H,22,25)
InChIKeyLXFGDTCQSHUYJZ-UHFFFAOYSA-N
MW395.24 g/mol
LogP2.58
Rot. Bonds7

About (3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate

(3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate (PubChem CID 3496374) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
PubChem CID3496374
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name(3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O4/c19-14-7-6-12(8-15(14)20)11-26-17(24)10-21-16(23)9-22-18(25)13-4-2-1-3-5-13/h1-8H,9-11H2,(H,21,23)(H,22,25)
InChIKeyLXFGDTCQSHUYJZ-UHFFFAOYSA-N
XLogP2.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2221739
(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 31864850
(4-benzylsulfonylphenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2960892
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879494
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
(3,4-dichlorophenyl)methyl 3-oxobutanoate
CID 3303006

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate (CID 3496374) is (3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate is O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
The InChIKey is LXFGDTCQSHUYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c19-14-7-6-12(8-15(14)20)11-26-17(24)10-21-16(23)9-22-18(25)13-4-2-1-3-5-13/h1-8H,9-11H2,(H,21,23)(H,22,25).
What are the key properties of (3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
(3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate has a molecular weight of 395.24 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate is sourced from PubChem (CID 3496374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).