2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide

C26H17Cl2FN2O2S — CID 21469021

IUPAC2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3ccccc3-c3sccc32)c(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C26H17Cl2FN2O2S/c27-19-6-3-7-21(29)23(19)25(32)30-16-8-9-18(20(28)14-16)26(33)31-12-10-15-4-1-2-5-17(15)24-22(31)11-13-34-24/h1-9,11,13-14H,10,12H2,(H,30,32)
InChIKeyVXBPLZPQFAPRIE-UHFFFAOYSA-N
MW511.41 g/mol
LogP7.32
Rot. Bonds3

About 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide

2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide (PubChem CID 21469021) has the molecular formula C26H17Cl2FN2O2S and a molecular weight of 511.41 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide
PubChem CID21469021
Molecular FormulaC26H17Cl2FN2O2S
Molecular Weight511.41 g/mol
Exact Mass510.04
IUPAC Name2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3ccccc3-c3sccc32)c(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C26H17Cl2FN2O2S/c27-19-6-3-7-21(29)23(19)25(32)30-16-8-9-18(20(28)14-16)26(33)31-12-10-15-4-1-2-5-17(15)24-22(31)11-13-34-24/h1-9,11,13-14H,10,12H2,(H,30,32)
InChIKeyVXBPLZPQFAPRIE-UHFFFAOYSA-N
XLogP7.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.41
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide with MolForge

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Related Compounds

3,5-dichloro-N-[3-chloro-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 57030756
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-[3-chloro-4-(2-methyl-5,6-dihydropyrimido[5,4-d][1]benzazepine-7-carbonyl)phenyl]-3-fluoro-5-methylbenzamide
CID 21469009
N-[3-chloro-4-(4,5-dihydro-1H-pyrazolo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-methylbenzamide
CID 18940518
2-chloro-6-fluoro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943105
2,4-dichloro-N-[4-(8-oxo-6,7-dihydro-5H-thieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 21467147
N-[3-chloro-4-(5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 19608146
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
CID 49170067
2-chloro-6-fluoro-N-[1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-6-yl]benzamide
CID 138454916
2-chloro-6-fluoro-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16931006
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide
CID 110348128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide (CID 21469021) is 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide is O=C(Nc1ccc(C(=O)N2CCc3ccccc3-c3sccc32)c(Cl)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide?
The InChIKey is VXBPLZPQFAPRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2FN2O2S/c27-19-6-3-7-21(29)23(19)25(32)30-16-8-9-18(20(28)14-16)26(33)31-12-10-15-4-1-2-5-17(15)24-22(31)11-13-34-24/h1-9,11,13-14H,10,12H2,(H,30,32).
What are the key properties of 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide?
2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide has a molecular weight of 511.41 g/mol, XLogP of 7.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-4-(5,6-dihydrothieno[3,2-d][3]benzazepine-4-carbonyl)phenyl]-6-fluorobenzamide is sourced from PubChem (CID 21469021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).