2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

C21H20ClFN2OS — CID 8599467

IUPAC2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESC[C@@H](NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClFN2OS/c1-14(16-4-2-5-17(22)12-16)24-13-20(26)25-21(19-6-3-11-27-19)15-7-9-18(23)10-8-15/h2-12,14,21,24H,13H2,1H3,(H,25,26)/t14-,21-/m1/s1
InChIKeyHLSPNABFLPYCGK-SPLOXXLWSA-N
MW402.92 g/mol
LogP5.10
Rot. Bonds7

About 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 8599467) has the molecular formula C21H20ClFN2OS and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID8599467
Molecular FormulaC21H20ClFN2OS
Molecular Weight402.92 g/mol
Exact Mass402.10
IUPAC Name2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
SMILESC[C@@H](NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClFN2OS/c1-14(16-4-2-5-17(22)12-16)24-13-20(26)25-21(19-6-3-11-27-19)15-7-9-18(23)10-8-15/h2-12,14,21,24H,13H2,1H3,(H,25,26)/t14-,21-/m1/s1
InChIKeyHLSPNABFLPYCGK-SPLOXXLWSA-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-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 18088222
2-[1-(2-fluorophenyl)ethylamino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 18088428
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
(3S)-3-acetamido-3-(4-chlorophenyl)-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide
CID 41355345
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307629
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55498286

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide (CID 8599467) is 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is C[C@@H](NCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is HLSPNABFLPYCGK-SPLOXXLWSA-N. The full InChI is InChI=1S/C21H20ClFN2OS/c1-14(16-4-2-5-17(22)12-16)24-13-20(26)25-21(19-6-3-11-27-19)15-7-9-18(23)10-8-15/h2-12,14,21,24H,13H2,1H3,(H,25,26)/t14-,21-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide?
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(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-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 8599467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).