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

C18H16Cl2N2O4 — CID 1218600

IUPAC(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
SMILESCC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-11(23)22-15-6-3-12(4-7-15)18(25)21-9-17(24)26-10-13-2-5-14(19)8-16(13)20/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyXPHZGKPPTVZCDB-UHFFFAOYSA-N
MW395.24 g/mol
LogP3.42
Rot. Bonds6

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

(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate (PubChem CID 1218600) has the molecular formula C18H16Cl2N2O4 and a molecular weight of 395.24 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
PubChem CID1218600
Molecular FormulaC18H16Cl2N2O4
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
SMILESCC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H16Cl2N2O4/c1-11(23)22-15-6-3-12(4-7-15)18(25)21-9-17(24)26-10-13-2-5-14(19)8-16(13)20/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyXPHZGKPPTVZCDB-UHFFFAOYSA-N
XLogP3.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 2342593
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
CID 46828283
(7-acetamido-2-oxochromen-4-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 46789290
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 55802304
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7878744
2-[(4-acetamidobenzoyl)amino]-3-(2,4-dichlorophenyl)propanoate
CID 22305555
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
CID 27102174
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8609899
3-acetamido-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 17397210
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878733
4-acetamido-N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzamide
CID 110795800
4-acetamido-N-[2-(5-chloro-2-methoxyphenyl)ethyl]benzamide
CID 110795201

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate?
The IUPAC name of (2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate (CID 1218600) is (2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate is CC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate?
The InChIKey is XPHZGKPPTVZCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4/c1-11(23)22-15-6-3-12(4-7-15)18(25)21-9-17(24)26-10-13-2-5-14(19)8-16(13)20/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of (2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate?
(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate has a molecular weight of 395.24 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate is sourced from PubChem (CID 1218600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).