4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide

C25H20Cl2F2N2O2 — CID 162663315

IUPAC4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)C(F)(F)CCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H20Cl2F2N2O2/c1-15(30-23(32)16-5-8-19(26)9-6-16)17-7-10-22-21(14-17)25(28,29)11-12-31(22)24(33)18-3-2-4-20(27)13-18/h2-10,13-15H,11-12H2,1H3,(H,30,32)/t15-/m1/s1
InChIKeyHJSDDPZVKLGJLZ-OAHLLOKOSA-N
MW489.35 g/mol
LogP6.63
Rot. Bonds4

About 4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide

4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide (PubChem CID 162663315) has the molecular formula C25H20Cl2F2N2O2 and a molecular weight of 489.35 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide
PubChem CID162663315
Molecular FormulaC25H20Cl2F2N2O2
Molecular Weight489.35 g/mol
Exact Mass488.09
IUPAC Name4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)C(F)(F)CCN2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C25H20Cl2F2N2O2/c1-15(30-23(32)16-5-8-19(26)9-6-16)17-7-10-22-21(14-17)25(28,29)11-12-31(22)24(33)18-3-2-4-20(27)13-18/h2-10,13-15H,11-12H2,1H3,(H,30,32)/t15-/m1/s1
InChIKeyHJSDDPZVKLGJLZ-OAHLLOKOSA-N
XLogP6.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.35
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide (CID 162663315) is 4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide is C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)C(F)(F)CCN2C(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide?
The InChIKey is HJSDDPZVKLGJLZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H20Cl2F2N2O2/c1-15(30-23(32)16-5-8-19(26)9-6-16)17-7-10-22-21(14-17)25(28,29)11-12-31(22)24(33)18-3-2-4-20(27)13-18/h2-10,13-15H,11-12H2,1H3,(H,30,32)/t15-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide?
4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide has a molecular weight of 489.35 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-[1-(3-chlorobenzoyl)-4,4-difluoro-2,3-dihydroquinolin-6-yl]ethyl]benzamide is sourced from PubChem (CID 162663315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).