N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide

C19H21ClN2O5 — CID 113001562

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
SMILESCOc1cc(NC(=O)CNC(=O)COc2ccc(C)cc2)c(OC)cc1Cl
InChIInChI=1S/C19H21ClN2O5/c1-12-4-6-13(7-5-12)27-11-19(24)21-10-18(23)22-15-9-16(25-2)14(20)8-17(15)26-3/h4-9H,10-11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyROJBWQBBFQFNCI-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.80
Rot. Bonds8

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide (PubChem CID 113001562) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
PubChem CID113001562
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
SMILESCOc1cc(NC(=O)CNC(=O)COc2ccc(C)cc2)c(OC)cc1Cl
InChIInChI=1S/C19H21ClN2O5/c1-12-4-6-13(7-5-12)27-11-19(24)21-10-18(23)22-15-9-16(25-2)14(20)8-17(15)26-3/h4-9H,10-11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyROJBWQBBFQFNCI-UHFFFAOYSA-N
XLogP2.80
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-propylphenoxy)acetamide
CID 19174228
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26620549
N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
CID 115636840

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide (CID 113001562) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide is COc1cc(NC(=O)CNC(=O)COc2ccc(C)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The InChIKey is ROJBWQBBFQFNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-12-4-6-13(7-5-12)27-11-19(24)21-10-18(23)22-15-9-16(25-2)14(20)8-17(15)26-3/h4-9H,10-11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide has a molecular weight of 392.84 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 113001562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).