N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide

C19H20Cl2N2O3 — CID 60571534

IUPACN-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
SMILESCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1
InChIInChI=1S/C19H20Cl2N2O3/c1-12(18(24)22-11-14-6-4-3-5-7-14)23-19(25)13(2)26-17-9-8-15(20)10-16(17)21/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVASLTCKYGIIDKB-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.58
Rot. Bonds7

About N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide

N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide (PubChem CID 60571534) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
PubChem CID60571534
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC NameN-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
SMILESCC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1
InChIInChI=1S/C19H20Cl2N2O3/c1-12(18(24)22-11-14-6-4-3-5-7-14)23-19(25)13(2)26-17-9-8-15(20)10-16(17)21/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVASLTCKYGIIDKB-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]thiourea
CID 7010205
N-(benzylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 5188319
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-phenylpropanoic acid
CID 3454202
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 71229942
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
CID 60535283
2-(2,4-dichlorophenoxy)-N-[(3,4-dihydroxyphenyl)methyl]propanamide
CID 70843494
N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 55734024

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide?
The IUPAC name of N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide (CID 60571534) is N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide.
What is the SMILES notation for N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide?
The canonical SMILES for N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide is CC(NC(=O)C(C)Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide?
The InChIKey is VASLTCKYGIIDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-12(18(24)22-11-14-6-4-3-5-7-14)23-19(25)13(2)26-17-9-8-15(20)10-16(17)21/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide?
N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide has a molecular weight of 395.29 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide is sourced from PubChem (CID 60571534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).