N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide

C20H22ClFN2O — CID 18088736

IUPACN-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
SMILESCC(NC(=O)CN(Cc1ccc(F)cc1)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClFN2O/c1-14(16-3-2-4-17(21)11-16)23-20(25)13-24(19-9-10-19)12-15-5-7-18(22)8-6-15/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyDONCWCDUOQJUNU-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.32
Rot. Bonds7

About N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide

N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide (PubChem CID 18088736) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
PubChem CID18088736
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
SMILESCC(NC(=O)CN(Cc1ccc(F)cc1)C1CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClFN2O/c1-14(16-3-2-4-17(21)11-16)23-20(25)13-24(19-9-10-19)12-15-5-7-18(22)8-6-15/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyDONCWCDUOQJUNU-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60502680
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 81372786
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8906311
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8916279
2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide
CID 8906749

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide (CID 18088736) is N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide is CC(NC(=O)CN(Cc1ccc(F)cc1)C1CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide?
The InChIKey is DONCWCDUOQJUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-14(16-3-2-4-17(21)11-16)23-20(25)13-24(19-9-10-19)12-15-5-7-18(22)8-6-15/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,25).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide?
N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide has a molecular weight of 360.86 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 18088736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).