7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide

C19H21FN4O2 — CID 131670331

IUPAC7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide
SMILESCN(C)C(=O)N1CC2C(C1)n1cccc1C(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c1-21(2)19(26)22-11-16-17(12-22)24(10-13-5-7-14(20)8-6-13)18(25)15-4-3-9-23(15)16/h3-9,16-17H,10-12H2,1-2H3
InChIKeySOVPSHOFSGAZEP-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.19
Rot. Bonds2

About 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide

7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide (PubChem CID 131670331) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide
PubChem CID131670331
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide
SMILESCN(C)C(=O)N1CC2C(C1)n1cccc1C(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c1-21(2)19(26)22-11-16-17(12-22)24(10-13-5-7-14(20)8-6-13)18(25)15-4-3-9-23(15)16/h3-9,16-17H,10-12H2,1-2H3
InChIKeySOVPSHOFSGAZEP-UHFFFAOYSA-N
XLogP2.19
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)methyl]-7-[(4-methoxyphenyl)methyl]-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one
CID 131670353
7-benzyl-4-propanoyl-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one
CID 131670305
7-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one
CID 131670323
7-[(4-methoxyphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one;2,2,2-trifluoroacetic acid
CID 155864282
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
4-[(4-chlorophenyl)methyl]-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one;2,2,2-trifluoroacetic acid
CID 155863104
4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 52673339
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
4-[(3-fluorophenyl)methyl]-7-(pyridin-2-ylmethyl)-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one;bis(2,2,2-trifluoroacetic acid)
CID 155827504
(2S,6R)-4-[(5-methylthiophen-2-yl)methyl]-7-(pyridin-3-ylmethyl)-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one;bis(2,2,2-trifluoroacetic acid)
CID 155826966
3-[(3S)-4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N,N-dimethylpropanamide
CID 95524892
6-[(3R,4R)-3-[(4-fluorophenyl)methyl-methylamino]-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 175657671

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide (CID 131670331) is 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide is CN(C)C(=O)N1CC2C(C1)n1cccc1C(=O)N2Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide?
The InChIKey is SOVPSHOFSGAZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-21(2)19(26)22-11-16-17(12-22)24(10-13-5-7-14(20)8-6-13)18(25)15-4-3-9-23(15)16/h3-9,16-17H,10-12H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide?
7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-N,N-dimethyl-8-oxo-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxamide is sourced from PubChem (CID 131670331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).