2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C17H15ClFNO — CID 42989247

IUPAC2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFNO/c18-15-10-12(19)8-9-14(15)17(21)20-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,16H,3,5,7H2,(H,20,21)
InChIKeyQPCPKDISNBQUJS-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.29
Rot. Bonds2

About 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 42989247) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID42989247
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFNO/c18-15-10-12(19)8-9-14(15)17(21)20-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,16H,3,5,7H2,(H,20,21)
InChIKeyQPCPKDISNBQUJS-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9192392
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
2-chloro-4-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2468990
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
2-chloro-4-fluoro-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509731
2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92678157
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125042681
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133145463
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 42989247) is 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is QPCPKDISNBQUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-15-10-12(19)8-9-14(15)17(21)20-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,16H,3,5,7H2,(H,20,21).
What are the key properties of 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 303.76 g/mol, XLogP of 4.29, 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-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 42989247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).