N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide

C25H22ClFN2O2 — CID 146382109

IUPACN-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide
SMILESO=C(NC1(c2ccc3c(n2)CCC[C@@H]3Oc2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H22ClFN2O2/c26-17-3-1-4-19(15-17)31-22-6-2-5-21-20(22)11-12-23(28-21)25(13-14-25)29-24(30)16-7-9-18(27)10-8-16/h1,3-4,7-12,15,22H,2,5-6,13-14H2,(H,29,30)/t22-/m0/s1
InChIKeyRIGGNKXYXNKVSB-QFIPXVFZSA-N
MW436.91 g/mol
LogP5.75
Rot. Bonds5

About N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide

N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide (PubChem CID 146382109) has the molecular formula C25H22ClFN2O2 and a molecular weight of 436.91 g/mol. Its IUPAC name is N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide
PubChem CID146382109
Molecular FormulaC25H22ClFN2O2
Molecular Weight436.91 g/mol
Exact Mass436.14
IUPAC NameN-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide
SMILESO=C(NC1(c2ccc3c(n2)CCC[C@@H]3Oc2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H22ClFN2O2/c26-17-3-1-4-19(15-17)31-22-6-2-5-21-20(22)11-12-23(28-21)25(13-14-25)29-24(30)16-7-9-18(27)10-8-16/h1,3-4,7-12,15,22H,2,5-6,13-14H2,(H,29,30)/t22-/m0/s1
InChIKeyRIGGNKXYXNKVSB-QFIPXVFZSA-N
XLogP5.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.91
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide with MolForge

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Related Compounds

N-[1-[(5R)-5-[2-(dimethylamino)pyrimidin-5-yl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide
CID 146386081
4-fluoro-N-[1-[(5R)-5-(2-methyl-4,5-dihydropyrimidin-4-yl)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide
CID 146386067
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
4-fluoro-N-[1-[5-[(1Z)-1-(propan-2-ylideneamino)buta-1,3-dienyl]-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]benzamide
CID 146386089
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441688
4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
CID 142580242
ethane;4-fluoro-N-[1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
CID 142580241
4-fluoro-N-[1-[5-[(4-methyl-3-pyridinyl)oxy]quinolin-2-yl]cyclopropyl]benzamide
CID 146386166
N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 9340581
N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide
CID 97099967
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide (CID 146382109) is N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide is O=C(NC1(c2ccc3c(n2)CCC[C@@H]3Oc2cccc(Cl)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide?
The InChIKey is RIGGNKXYXNKVSB-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H22ClFN2O2/c26-17-3-1-4-19(15-17)31-22-6-2-5-21-20(22)11-12-23(28-21)25(13-14-25)29-24(30)16-7-9-18(27)10-8-16/h1,3-4,7-12,15,22H,2,5-6,13-14H2,(H,29,30)/t22-/m0/s1.
What are the key properties of N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide?
N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide has a molecular weight of 436.91 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5S)-5-(3-chlorophenoxy)-5,6,7,8-tetrahydroquinolin-2-yl]cyclopropyl]-4-fluorobenzamide is sourced from PubChem (CID 146382109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).