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

C16H12Cl3NO3 — CID 2342593

IUPAC(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Cl)c1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO3/c17-12-3-1-2-10(6-12)16(22)20-8-15(21)23-9-11-4-5-13(18)7-14(11)19/h1-7H,8-9H2,(H,20,22)
InChIKeyXNSYEXTWNUEWAU-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.12
Rot. Bonds5

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

(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate (PubChem CID 2342593) has the molecular formula C16H12Cl3NO3 and a molecular weight of 372.64 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
PubChem CID2342593
Molecular FormulaC16H12Cl3NO3
Molecular Weight372.64 g/mol
Exact Mass370.99
IUPAC Name(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Cl)c1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO3/c17-12-3-1-2-10(6-12)16(22)20-8-15(21)23-9-11-4-5-13(18)7-14(11)19/h1-7H,8-9H2,(H,20,22)
InChIKeyXNSYEXTWNUEWAU-UHFFFAOYSA-N
XLogP4.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
CID 1218600
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662771
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 9364281
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 35651131
(4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662567
(2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 40762897
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882697
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate?
The IUPAC name of (2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate (CID 2342593) is (2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(Cl)c1)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate?
The InChIKey is XNSYEXTWNUEWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO3/c17-12-3-1-2-10(6-12)16(22)20-8-15(21)23-9-11-4-5-13(18)7-14(11)19/h1-7H,8-9H2,(H,20,22).
What are the key properties of (2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate?
(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate has a molecular weight of 372.64 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 2342593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).