(2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate

C19H20ClNO5 — CID 57226067

IUPAC(2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2cc(Cl)ccc2NC(C)=O)c(OC)c1
InChIInChI=1S/C19H20ClNO5/c1-12(22)21-17-7-5-15(20)8-14(17)11-26-19(23)9-13-4-6-16(24-2)10-18(13)25-3/h4-8,10H,9,11H2,1-3H3,(H,21,22)
InChIKeyPKBNMHMZXWXCFD-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.60
Rot. Bonds7

About (2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate

(2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate (PubChem CID 57226067) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is (2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name(2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate
PubChem CID57226067
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name(2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2cc(Cl)ccc2NC(C)=O)c(OC)c1
InChIInChI=1S/C19H20ClNO5/c1-12(22)21-17-7-5-15(20)8-14(17)11-26-19(23)9-13-4-6-16(24-2)10-18(13)25-3/h4-8,10H,9,11H2,1-3H3,(H,21,22)
InChIKeyPKBNMHMZXWXCFD-UHFFFAOYSA-N
XLogP3.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate
CID 24874415
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2,4-dimethoxyphenyl)acetate
CID 123284882
[2-(4-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615173
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8732609
4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide
CID 31966118
(3,5-dihydroxyphenyl) 2-(2,4-dimethoxyphenyl)acetate
CID 86052866
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716456
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate?
The IUPAC name of (2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate (CID 57226067) is (2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate.
What is the SMILES notation for (2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate?
The canonical SMILES for (2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCc2cc(Cl)ccc2NC(C)=O)c(OC)c1.
What is the InChIKey of (2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate?
The InChIKey is PKBNMHMZXWXCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-12(22)21-17-7-5-15(20)8-14(17)11-26-19(23)9-13-4-6-16(24-2)10-18(13)25-3/h4-8,10H,9,11H2,1-3H3,(H,21,22).
What are the key properties of (2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate?
(2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate has a molecular weight of 377.82 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-5-chlorophenyl)methyl 2-(2,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 57226067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).