[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone

C19H10ClF6NOS — CID 25263603

IUPAC[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone
SMILESNc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H10ClF6NOS/c20-13-3-1-9(2-4-13)16(28)15-14(8-29-17(15)27)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-8H,27H2
InChIKeyIVHJBJJHYFIUOA-UHFFFAOYSA-N
MW449.80 g/mol
LogP6.92
Rot. Bonds3

About [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone

[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone (PubChem CID 25263603) has the molecular formula C19H10ClF6NOS and a molecular weight of 449.80 g/mol. Its IUPAC name is [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone
PubChem CID25263603
Molecular FormulaC19H10ClF6NOS
Molecular Weight449.80 g/mol
Exact Mass449.01
IUPAC Name[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone
SMILESNc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H10ClF6NOS/c20-13-3-1-9(2-4-13)16(28)15-14(8-29-17(15)27)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-8H,27H2
InChIKeyIVHJBJJHYFIUOA-UHFFFAOYSA-N
XLogP6.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.80
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 855908
PD 81723
CID 122028
3-(4-chlorobenzoyl)-4H,5H,6H-cyclopenta(b)thiophen-2-amine
CID 859628
(2-Amino-4-(3-(trifluoromethyl)phenyl)thiophen-3-yl)(phenyl)methanone
CID 24873485
[2-Amino-4-(2,2-dimethylpropyl)-5-(2-phenylethynyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 101882375
(2-Amino-4,5-dimethylthiophen-3-yl)(2-chlorophenyl)methanone
CID 859637
[5-Amino-3-[3-(trifluoromethyl)phenyl]thiophen-2-yl]-(2-chlorophenyl)methanone
CID 145985638
[5-Amino-3-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]-(2-chlorophenyl)methanone
CID 145989415
(2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-(3,4-dichloro-phenyl)-methanone
CID 403297
(2-Amino-3-thienyl)(4-chlorophenyl)methanone
CID 654924
(2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)-(4-chlorophenyl)methanone
CID 9815157
[2-Amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
CID 25263750

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone (CID 25263603) is [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone is Nc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is IVHJBJJHYFIUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF6NOS/c20-13-3-1-9(2-4-13)16(28)15-14(8-29-17(15)27)10-5-11(18(21,22)23)7-12(6-10)19(24,25)26/h1-8H,27H2.
What are the key properties of [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone?
[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 449.80 g/mol, XLogP of 6.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 25263603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).