4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide

C21H21FN2O2 — CID 4885893

IUPAC4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c1-14(2)12-24(21(26)15-7-9-18(22)10-8-15)13-17-11-16-5-3-4-6-19(16)23-20(17)25/h3-11,14H,12-13H2,1-2H3,(H,23,25)
InChIKeyCQXQIZKOCJOAFH-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.97
Rot. Bonds5

About 4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide

4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 4885893) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID4885893
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c1-14(2)12-24(21(26)15-7-9-18(22)10-8-15)13-17-11-16-5-3-4-6-19(16)23-20(17)25/h3-11,14H,12-13H2,1-2H3,(H,23,25)
InChIKeyCQXQIZKOCJOAFH-UHFFFAOYSA-N
XLogP3.97
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4889192
N-ethyl-4-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 943147
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
CID 934261
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
CID 1400292
N-ethyl-2-fluoro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 958945
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163
4-chloro-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2987726
N-ethyl-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 945135
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459110
N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 4903915
4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1417676

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 4885893) is 4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is CC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is CQXQIZKOCJOAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-14(2)12-24(21(26)15-7-9-18(22)10-8-15)13-17-11-16-5-3-4-6-19(16)23-20(17)25/h3-11,14H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 352.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 4885893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).