N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide

C17H18ClFN2O — CID 109025148

IUPACN-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
SMILESO=C(CCNCCc1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClFN2O/c18-15-3-1-2-4-16(15)21-17(22)10-12-20-11-9-13-5-7-14(19)8-6-13/h1-8,20H,9-12H2,(H,21,22)
InChIKeyCVOYDDIDICLMGX-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.64
Rot. Bonds7

About N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide

N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide (PubChem CID 109025148) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
PubChem CID109025148
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC NameN-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
SMILESO=C(CCNCCc1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClFN2O/c18-15-3-1-2-4-16(15)21-17(22)10-12-20-11-9-13-5-7-14(19)8-6-13/h1-8,20H,9-12H2,(H,21,22)
InChIKeyCVOYDDIDICLMGX-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.64
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-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025214
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109033323
N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025134
N-(4-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025153
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9037832
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
CID 109025202
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025156
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948495

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide (CID 109025148) is N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide is O=C(CCNCCc1ccc(F)cc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
The InChIKey is CVOYDDIDICLMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c18-15-3-1-2-4-16(15)21-17(22)10-12-20-11-9-13-5-7-14(19)8-6-13/h1-8,20H,9-12H2,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide?
N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide has a molecular weight of 320.80 g/mol, XLogP of 3.64, 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-(4-fluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109025148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).