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

C21H20ClFN2OS — CID 18088222

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCC(NCC(=O)NC(c1ccc(F)cc1)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C21H20ClFN2OS/c1-14(17-5-2-3-6-18(17)22)24-13-20(26)25-21(19-7-4-12-27-19)15-8-10-16(23)11-9-15/h2-12,14,21,24H,13H2,1H3,(H,25,26)
InChIKeyMCNTTXDRRCROGY-UHFFFAOYSA-N
MW402.92 g/mol
LogP5.10
Rot. Bonds7

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

2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 18088222) has the molecular formula C21H20ClFN2OS and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID18088222
Molecular FormulaC21H20ClFN2OS
Molecular Weight402.92 g/mol
Exact Mass402.10
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESCC(NCC(=O)NC(c1ccc(F)cc1)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C21H20ClFN2OS/c1-14(17-5-2-3-6-18(17)22)24-13-20(26)25-21(19-7-4-12-27-19)15-8-10-16(23)11-9-15/h2-12,14,21,24H,13H2,1H3,(H,25,26)
InChIKeyMCNTTXDRRCROGY-UHFFFAOYSA-N
XLogP5.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.92
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8599003
2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 18088428
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8599467
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-[1-(2-chlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 51171749
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55498286
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16593862
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 18088222) is 2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is CC(NCC(=O)NC(c1ccc(F)cc1)c1cccs1)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is MCNTTXDRRCROGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2OS/c1-14(17-5-2-3-6-18(17)22)24-13-20(26)25-21(19-7-4-12-27-19)15-8-10-16(23)11-9-15/h2-12,14,21,24H,13H2,1H3,(H,25,26).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 402.92 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 18088222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).