N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide

C18H20ClFN2O — CID 109024857

IUPACN-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCNCCc1ccccc1F
InChIInChI=1S/C18H20ClFN2O/c1-13-6-7-15(19)12-17(13)22-18(23)9-11-21-10-8-14-4-2-3-5-16(14)20/h2-7,12,21H,8-11H2,1H3,(H,22,23)
InChIKeyOSEQMCNKBMZANH-UHFFFAOYSA-N
MW334.82 g/mol
LogP3.95
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide

N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide (PubChem CID 109024857) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
PubChem CID109024857
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC NameN-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCNCCc1ccccc1F
InChIInChI=1S/C18H20ClFN2O/c1-13-6-7-15(19)12-17(13)22-18(23)9-11-21-10-8-14-4-2-3-5-16(14)20/h2-7,12,21H,8-11H2,1H3,(H,22,23)
InChIKeyOSEQMCNKBMZANH-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.95
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'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948290
N-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024840
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015588
N-(4-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025153
3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020733
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
N-(5-chloro-2-methylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108965

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide (CID 109024857) is N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide is Cc1ccc(Cl)cc1NC(=O)CCNCCc1ccccc1F.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide?
The InChIKey is OSEQMCNKBMZANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c1-13-6-7-15(19)12-17(13)22-18(23)9-11-21-10-8-14-4-2-3-5-16(14)20/h2-7,12,21H,8-11H2,1H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide?
N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide has a molecular weight of 334.82 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109024857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).