N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide

C17H18Cl2N2O — CID 109033323

IUPACN-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
SMILESO=C(CCNCCc1cccc(Cl)c1)Nc1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O/c18-14-5-3-4-13(12-14)8-10-20-11-9-17(22)21-16-7-2-1-6-15(16)19/h1-7,12,20H,8-11H2,(H,21,22)
InChIKeyXHZHXJWWZQSFRI-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.15
Rot. Bonds7

About N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide

N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide (PubChem CID 109033323) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
PubChem CID109033323
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
SMILESO=C(CCNCCc1cccc(Cl)c1)Nc1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O/c18-14-5-3-4-13(12-14)8-10-20-11-9-17(22)21-16-7-2-1-6-15(16)19/h1-7,12,20H,8-11H2,(H,21,22)
InChIKeyXHZHXJWWZQSFRI-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025148
3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 47135378
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109033349
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109033314
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide
CID 109020118
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013303
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide (CID 109033323) is N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide is O=C(CCNCCc1cccc(Cl)c1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide?
The InChIKey is XHZHXJWWZQSFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-14-5-3-4-13(12-14)8-10-20-11-9-17(22)21-16-7-2-1-6-15(16)19/h1-7,12,20H,8-11H2,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide?
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide has a molecular weight of 337.25 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109033323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).