2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide

C19H20ClFN2O — CID 24594116

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESCC(NC(C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C19H20ClFN2O/c1-12(16-4-2-3-5-17(16)20)22-18(19(24)23-15-10-11-15)13-6-8-14(21)9-7-13/h2-9,12,15,18,22H,10-11H2,1H3,(H,23,24)
InChIKeyIBBIAFCBJGISSF-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.15
Rot. Bonds6

About 2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide

2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide (PubChem CID 24594116) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
PubChem CID24594116
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESCC(NC(C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C19H20ClFN2O/c1-12(16-4-2-3-5-17(16)20)22-18(19(24)23-15-10-11-15)13-6-8-14(21)9-7-13/h2-9,12,15,18,22H,10-11H2,1H3,(H,23,24)
InChIKeyIBBIAFCBJGISSF-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
CID 9043598
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide
CID 9044058
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041075
(2R)-N-cyclopropyl-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041090
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627
N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43227005
(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 9356593
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methylphenyl)propylamino]acetamide
CID 42931250
2-[1-(2-chlorophenyl)ethylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 18088205
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
CID 78754103
N-cyclopropyl-2-(4-ethylanilino)-2-(4-fluorophenyl)acetamide
CID 42931280

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide (CID 24594116) is 2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide is CC(NC(C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
The InChIKey is IBBIAFCBJGISSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-12(16-4-2-3-5-17(16)20)22-18(19(24)23-15-10-11-15)13-6-8-14(21)9-7-13/h2-9,12,15,18,22H,10-11H2,1H3,(H,23,24).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide has a molecular weight of 346.83 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 24594116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).