(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate

C20H20ClNO5 — CID 7878744

IUPAC(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESCCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO5/c1-3-26-18-9-6-15(13(2)23)10-16(18)12-27-19(24)11-22-20(25)14-4-7-17(21)8-5-14/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyFMNRJMZJULGUKI-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.41
Rot. Bonds8

About (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate

(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 7878744) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID7878744
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC Name(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESCCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClNO5/c1-3-26-18-9-6-15(13(2)23)10-16(18)12-27-19(24)11-22-20(25)14-4-7-17(21)8-5-14/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyFMNRJMZJULGUKI-UHFFFAOYSA-N
XLogP3.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 29191315
1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone
CID 60627754
(5-acetyl-2-methoxyphenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 2121117
(5-acetyl-2-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 40582967
(5-acetyl-2-ethoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 3358991
(2-ethoxyphenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788915
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
(5-acetyl-2-methoxyphenyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883151
(5-acetyl-2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013688
(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
CID 1218600

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate (CID 7878744) is (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate is CCOc1ccc(C(C)=O)cc1COC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is FMNRJMZJULGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO5/c1-3-26-18-9-6-15(13(2)23)10-16(18)12-27-19(24)11-22-20(25)14-4-7-17(21)8-5-14/h4-10H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
(5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 389.84 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-ethoxyphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 7878744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).