2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide

C18H17ClFNO — CID 23509731

IUPAC2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
SMILESO=C(NC1CCCc2ccccc2C1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFNO/c19-17-11-14(20)8-9-16(17)18(22)21-15-7-3-6-12-4-1-2-5-13(12)10-15/h1-2,4-5,8-9,11,15H,3,6-7,10H2,(H,21,22)
InChIKeyUVOKWCQPJDLHJO-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.16
Rot. Bonds2

About 2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide

2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide (PubChem CID 23509731) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
PubChem CID23509731
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
SMILESO=C(NC1CCCc2ccccc2C1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFNO/c19-17-11-14(20)8-9-16(17)18(22)21-15-7-3-6-12-4-1-2-5-13(12)10-15/h1-2,4-5,8-9,11,15H,3,6-7,10H2,(H,21,22)
InChIKeyUVOKWCQPJDLHJO-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 106501740
2-chloro-4-fluoro-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]benzamide
CID 100752073
2-methyl-5-methylsulfonyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509730
4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509717
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide
CID 91132074
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide
CID 63251463
2-chloro-N-cyclopentylbenzamide
CID 669043
2-chloro-6-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 20872301
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 124738471
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide (CID 23509731) is 2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide is O=C(NC1CCCc2ccccc2C1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
The InChIKey is UVOKWCQPJDLHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-17-11-14(20)8-9-16(17)18(22)21-15-7-3-6-12-4-1-2-5-13(12)10-15/h1-2,4-5,8-9,11,15H,3,6-7,10H2,(H,21,22).
What are the key properties of 2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide has a molecular weight of 317.79 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide is sourced from PubChem (CID 23509731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).