(2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide

C16H15ClFN3O2 — CID 118069341

IUPAC(2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CC[C@@H]1COC[C@@H]12
InChIInChI=1S/C16H15ClFN3O2/c17-10-5-8(1-3-11(10)18)15-14(16(19)22)12-4-2-9-6-23-7-13(9)21(12)20-15/h1,3,5,9,13H,2,4,6-7H2,(H2,19,22)/t9-,13+/m1/s1
InChIKeyGNQXMZNVFJWRES-RNCFNFMXSA-N
MW335.77 g/mol
LogP2.58
Rot. Bonds2

About (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide

(2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide (PubChem CID 118069341) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide.

Molecular Properties

Compound Name(2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide
PubChem CID118069341
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name(2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide
SMILESNC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CC[C@@H]1COC[C@@H]12
InChIInChI=1S/C16H15ClFN3O2/c17-10-5-8(1-3-11(10)18)15-14(16(19)22)12-4-2-9-6-23-7-13(9)21(12)20-15/h1,3,5,9,13H,2,4,6-7H2,(H2,19,22)/t9-,13+/m1/s1
InChIKeyGNQXMZNVFJWRES-RNCFNFMXSA-N
XLogP2.58
TPSA70.14 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-fluorophenyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,1'-cyclopropane]-3-carboxamide
CID 118069321
5-amino-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 144845127
tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-[(cyclopropylamino)-hydroxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 138749188
2-(3-chloro-4-fluorophenyl)-7-(2-cyclopropylacetyl)-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 153250527
(7R)-2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 147242091
2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 157364092
5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5,7-tricarboxamide
CID 118071147
2-(3-chloro-4-fluorophenyl)-5-N-[2-(difluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123762503
tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118069376
4-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061794
2-(3-chloro-4-fluorophenyl)-5-N-(1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123662925
3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-[2-(4-methylphenyl)sulfonyloxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 118062787

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide?
The IUPAC name of (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide (CID 118069341) is (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide.
What is the SMILES notation for (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide?
The canonical SMILES for (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide is NC(=O)c1c(-c2ccc(F)c(Cl)c2)nn2c1CC[C@@H]1COC[C@@H]12.
What is the InChIKey of (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide?
The InChIKey is GNQXMZNVFJWRES-RNCFNFMXSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c17-10-5-8(1-3-11(10)18)15-14(16(19)22)12-4-2-9-6-23-7-13(9)21(12)20-15/h1,3,5,9,13H,2,4,6-7H2,(H2,19,22)/t9-,13+/m1/s1.
What are the key properties of (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide?
(2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide has a molecular weight of 335.77 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-11-(3-chloro-4-fluorophenyl)-4-oxa-1,12-diazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide is sourced from PubChem (CID 118069341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).