2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide

C19H21Cl2N3O3 — CID 55693778

IUPAC2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O3/c1-12(2)23-19(26)24-15-6-3-13(4-7-15)10-22-18(25)11-27-17-8-5-14(20)9-16(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyCYFJACYOIBNORQ-UHFFFAOYSA-N
MW410.30 g/mol
LogP4.22
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide

2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide (PubChem CID 55693778) has the molecular formula C19H21Cl2N3O3 and a molecular weight of 410.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
PubChem CID55693778
Molecular FormulaC19H21Cl2N3O3
Molecular Weight410.30 g/mol
Exact Mass409.10
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O3/c1-12(2)23-19(26)24-15-6-3-13(4-7-15)10-22-18(25)11-27-17-8-5-14(20)9-16(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H2,23,24,26)
InChIKeyCYFJACYOIBNORQ-UHFFFAOYSA-N
XLogP4.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39680657
2,4-dichloro-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46464704
N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33013614
1-[4-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111198370
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838406
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide (CID 55693778) is 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide is CC(C)NC(=O)Nc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
The InChIKey is CYFJACYOIBNORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3/c1-12(2)23-19(26)24-15-6-3-13(4-7-15)10-22-18(25)11-27-17-8-5-14(20)9-16(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H2,23,24,26).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide has a molecular weight of 410.30 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 55693778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).