4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide

C19H10ClF7N2O — CID 134850051

IUPAC4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide
SMILESO=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H10ClF7N2O/c20-11-5-3-10(4-6-11)16(30)29-14-8-7-13(12-2-1-9-28-15(12)14)17(21,18(22,23)24)19(25,26)27/h1-9H,(H,29,30)
InChIKeyPEZQKXHYPPZEJF-UHFFFAOYSA-N
MW450.74 g/mol
LogP6.43
Rot. Bonds3

About 4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide

4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide (PubChem CID 134850051) has the molecular formula C19H10ClF7N2O and a molecular weight of 450.74 g/mol. Its IUPAC name is 4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide
PubChem CID134850051
Molecular FormulaC19H10ClF7N2O
Molecular Weight450.74 g/mol
Exact Mass450.04
IUPAC Name4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide
SMILESO=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H10ClF7N2O/c20-11-5-3-10(4-6-11)16(30)29-14-8-7-13(12-2-1-9-28-15(12)14)17(21,18(22,23)24)19(25,26)27/h1-9H,(H,29,30)
InChIKeyPEZQKXHYPPZEJF-UHFFFAOYSA-N
XLogP6.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.74
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(8-benzamidoquinolin-5-yl)-2,2-difluoroacetate
CID 132600265
4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
CID 14791088
N-(5-chloroquinolin-8-yl)-3-hydroxybenzamide
CID 115577672
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
N-(5-phenylselanylquinolin-8-yl)benzamide
CID 132548337
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
CID 132937566
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
CID 64525415
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide (CID 134850051) is 4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide is O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide?
The InChIKey is PEZQKXHYPPZEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF7N2O/c20-11-5-3-10(4-6-11)16(30)29-14-8-7-13(12-2-1-9-28-15(12)14)17(21,18(22,23)24)19(25,26)27/h1-9H,(H,29,30).
What are the key properties of 4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide?
4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide has a molecular weight of 450.74 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]benzamide is sourced from PubChem (CID 134850051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).