3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide

C18H20Cl2N2O — CID 120611624

IUPAC3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
SMILESNc1ccccc1CCC(=O)NCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O/c19-15-9-7-13(16(20)12-15)5-3-11-22-18(23)10-8-14-4-1-2-6-17(14)21/h1-2,4,6-7,9,12H,3,5,8,10-11,21H2,(H,22,23)
InChIKeyMOCVJMYZGCARPQ-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.26
Rot. Bonds7

About 3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide

3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide (PubChem CID 120611624) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
PubChem CID120611624
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide
SMILESNc1ccccc1CCC(=O)NCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O/c19-15-9-7-13(16(20)12-15)5-3-11-22-18(23)10-8-14-4-1-2-6-17(14)21/h1-2,4,6-7,9,12H,3,5,8,10-11,21H2,(H,22,23)
InChIKeyMOCVJMYZGCARPQ-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 120613513
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
5-[3-(2,4-dichlorophenyl)propanoylamino]-2-methylpentanoic acid
CID 104681872
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
CID 120610401

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide (CID 120611624) is 3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide is Nc1ccccc1CCC(=O)NCCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide?
The InChIKey is MOCVJMYZGCARPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c19-15-9-7-13(16(20)12-15)5-3-11-22-18(23)10-8-14-4-1-2-6-17(14)21/h1-2,4,6-7,9,12H,3,5,8,10-11,21H2,(H,22,23).
What are the key properties of 3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide?
3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide has a molecular weight of 351.28 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(2,4-dichlorophenyl)propyl]propanamide is sourced from PubChem (CID 120611624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).