N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide

C19H20Cl2N2O3 — CID 33013614

IUPACN-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-12(2)19(25)23-15-5-3-4-13(8-15)10-22-18(24)11-26-17-7-6-14(20)9-16(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHSLKFSNZJGXYTC-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.28
Rot. Bonds7

About N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide

N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide (PubChem CID 33013614) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
PubChem CID33013614
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC NameN-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-12(2)19(25)23-15-5-3-4-13(8-15)10-22-18(24)11-26-17-7-6-14(20)9-16(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHSLKFSNZJGXYTC-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33014645
2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 43908495
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
2-(2,4-dichlorophenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 55693778
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121
N-[3-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33015490
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
2-(2-chloro-4-fluorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7610294
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
(2R)-2-(2,4-dichlorophenoxy)-N-(3-ethylphenyl)propanamide
CID 874427
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide (CID 33013614) is N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
The InChIKey is HSLKFSNZJGXYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-12(2)19(25)23-15-5-3-4-13(8-15)10-22-18(24)11-26-17-7-6-14(20)9-16(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide has a molecular weight of 395.29 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 33013614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).