2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide

C16H15ClFN3O2 — CID 100752073

IUPAC2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
SMILESCn1nc2c(cc1=O)C[C@H](NC(=O)c1ccc(F)cc1Cl)CC2
InChIInChI=1S/C16H15ClFN3O2/c1-21-15(22)7-9-6-11(3-5-14(9)20-21)19-16(23)12-4-2-10(18)8-13(12)17/h2,4,7-8,11H,3,5-6H2,1H3,(H,19,23)/t11-/m1/s1
InChIKeyNUXKLXKYAIWWJD-LLVKDONJSA-N
MW335.77 g/mol
LogP1.86
Rot. Bonds2

About 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide

2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide (PubChem CID 100752073) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
PubChem CID100752073
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
SMILESCn1nc2c(cc1=O)C[C@H](NC(=O)c1ccc(F)cc1Cl)CC2
InChIInChI=1S/C16H15ClFN3O2/c1-21-15(22)7-9-6-11(3-5-14(9)20-21)19-16(23)12-4-2-10(18)8-13(12)17/h2,4,7-8,11H,3,5-6H2,1H3,(H,19,23)/t11-/m1/s1
InChIKeyNUXKLXKYAIWWJD-LLVKDONJSA-N
XLogP1.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide with MolForge

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Related Compounds

5-chloro-2-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
CID 100752090
2,6-dimethoxy-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)pyridine-3-carboxamide
CID 91632677
4-iodo-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)benzamide
CID 166979406
4-(dimethylamino)-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
CID 124873744
2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
CID 163924526
1-methyl-N-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]triazole-4-carboxamide
CID 129416200
2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509731
2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide
CID 100751706
N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide
CID 100751893
tert-butyl 3-[(2-chloro-4-fluorobenzoyl)amino]azetidine-1-carboxylate
CID 146381024
N-[2-(2-methoxyethyl)-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-4-propan-2-ylbenzamide
CID 163446789
6-amino-2-methyl-5,6,7,8-tetrahydrocinnolin-3-one
CID 121199716

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide (CID 100752073) is 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide is Cn1nc2c(cc1=O)C[C@H](NC(=O)c1ccc(F)cc1Cl)CC2.
What is the InChIKey of 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide?
The InChIKey is NUXKLXKYAIWWJD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c1-21-15(22)7-9-6-11(3-5-14(9)20-21)19-16(23)12-4-2-10(18)8-13(12)17/h2,4,7-8,11H,3,5-6H2,1H3,(H,19,23)/t11-/m1/s1.
What are the key properties of 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide?
2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide has a molecular weight of 335.77 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide is sourced from PubChem (CID 100752073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).