N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide

C16H12BrF4NO — CID 172915017

IUPACN-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide
SMILESO=C(NC[C@](F)(c1ccc(Br)cc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H12BrF4NO/c17-13-8-6-12(7-9-13)15(18,16(19,20)21)10-22-14(23)11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23)/t15-/m0/s1
InChIKeyMSXXDQCQYAXARV-HNNXBMFYSA-N
MW390.17 g/mol
LogP4.61
Rot. Bonds4

About N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide

N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide (PubChem CID 172915017) has the molecular formula C16H12BrF4NO and a molecular weight of 390.17 g/mol. Its IUPAC name is N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide
PubChem CID172915017
Molecular FormulaC16H12BrF4NO
Molecular Weight390.17 g/mol
Exact Mass389.00
IUPAC NameN-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide
SMILESO=C(NC[C@](F)(c1ccc(Br)cc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H12BrF4NO/c17-13-8-6-12(7-9-13)15(18,16(19,20)21)10-22-14(23)11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23)/t15-/m0/s1
InChIKeyMSXXDQCQYAXARV-HNNXBMFYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.17
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide?
The IUPAC name of N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide (CID 172915017) is N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide.
What is the SMILES notation for N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide?
The canonical SMILES for N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide is O=C(NC[C@](F)(c1ccc(Br)cc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide?
The InChIKey is MSXXDQCQYAXARV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H12BrF4NO/c17-13-8-6-12(7-9-13)15(18,16(19,20)21)10-22-14(23)11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide?
N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide has a molecular weight of 390.17 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide is sourced from PubChem (CID 172915017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).