[(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid

C18H13BrF2N2O2 — CID 135371020

IUPAC[(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
SMILESO=C(O)NC[C@@H](c1cc(F)cc(F)c1)c1nc2ccccc2cc1Br
InChIInChI=1S/C18H13BrF2N2O2/c19-15-7-10-3-1-2-4-16(10)23-17(15)14(9-22-18(24)25)11-5-12(20)8-13(21)6-11/h1-8,14,22H,9H2,(H,24,25)/t14-/m0/s1
InChIKeyUMRDJJOZCFFOPG-AWEZNQCLSA-N
MW407.21 g/mol
LogP4.68
Rot. Bonds4

About [(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid

[(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid (PubChem CID 135371020) has the molecular formula C18H13BrF2N2O2 and a molecular weight of 407.21 g/mol. Its IUPAC name is [(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
PubChem CID135371020
Molecular FormulaC18H13BrF2N2O2
Molecular Weight407.21 g/mol
Exact Mass406.01
IUPAC Name[(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
SMILESO=C(O)NC[C@@H](c1cc(F)cc(F)c1)c1nc2ccccc2cc1Br
InChIInChI=1S/C18H13BrF2N2O2/c19-15-7-10-3-1-2-4-16(10)23-17(15)14(9-22-18(24)25)11-5-12(20)8-13(21)6-11/h1-8,14,22H,9H2,(H,24,25)/t14-/m0/s1
InChIKeyUMRDJJOZCFFOPG-AWEZNQCLSA-N
XLogP4.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The IUPAC name of [(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid (CID 135371020) is [(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid.
What is the SMILES notation for [(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The canonical SMILES for [(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid is O=C(O)NC[C@@H](c1cc(F)cc(F)c1)c1nc2ccccc2cc1Br.
What is the InChIKey of [(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The InChIKey is UMRDJJOZCFFOPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H13BrF2N2O2/c19-15-7-10-3-1-2-4-16(10)23-17(15)14(9-22-18(24)25)11-5-12(20)8-13(21)6-11/h1-8,14,22H,9H2,(H,24,25)/t14-/m0/s1.
What are the key properties of [(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
[(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid has a molecular weight of 407.21 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-bromoquinolin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamic acid is sourced from PubChem (CID 135371020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).