N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide

C18H18Cl2N2O3 — CID 60608572

IUPACN-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
SMILESO=C(CCNC(=O)COc1ccc(Cl)cc1Cl)NCc1ccccc1
InChIInChI=1S/C18H18Cl2N2O3/c19-14-6-7-16(15(20)10-14)25-12-18(24)21-9-8-17(23)22-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,24)(H,22,23)
InChIKeyHBLFLMOGLMAKKF-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.19
Rot. Bonds8

About N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide

N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide (PubChem CID 60608572) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
PubChem CID60608572
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
SMILESO=C(CCNC(=O)COc1ccc(Cl)cc1Cl)NCc1ccccc1
InChIInChI=1S/C18H18Cl2N2O3/c19-14-6-7-16(15(20)10-14)25-12-18(24)21-9-8-17(23)22-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,24)(H,22,23)
InChIKeyHBLFLMOGLMAKKF-UHFFFAOYSA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 43908495
2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659055
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide?
The IUPAC name of N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide (CID 60608572) is N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide is O=C(CCNC(=O)COc1ccc(Cl)cc1Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide?
The InChIKey is HBLFLMOGLMAKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c19-14-6-7-16(15(20)10-14)25-12-18(24)21-9-8-17(23)22-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,24)(H,22,23).
What are the key properties of N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide?
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide has a molecular weight of 381.26 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 60608572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).