N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

C24H28FNO — CID 123553871

IUPACN-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
SMILESCc1cc(C2=CCc3cc(F)ccc3C2)cc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C24H28FNO/c1-15-10-20(11-16(2)23(15)26-22(27)14-24(3,4)5)18-6-7-19-13-21(25)9-8-17(19)12-18/h6,8-11,13H,7,12,14H2,1-5H3,(H,26,27)
InChIKeyFSZBPEFBLQMWBD-UHFFFAOYSA-N
MW365.49 g/mol
LogP6.00
Rot. Bonds3

About N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide (PubChem CID 123553871) has the molecular formula C24H28FNO and a molecular weight of 365.49 g/mol. Its IUPAC name is N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
PubChem CID123553871
Molecular FormulaC24H28FNO
Molecular Weight365.49 g/mol
Exact Mass365.22
IUPAC NameN-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
SMILESCc1cc(C2=CCc3cc(F)ccc3C2)cc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C24H28FNO/c1-15-10-20(11-16(2)23(15)26-22(27)14-24(3,4)5)18-6-7-19-13-21(25)9-8-17(19)12-18/h6,8-11,13H,7,12,14H2,1-5H3,(H,26,27)
InChIKeyFSZBPEFBLQMWBD-UHFFFAOYSA-N
XLogP6.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 123311100
CID 176950560
CID 176950560
N-[4-(7-fluoro-1,3-dihydro-2-benzazepin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 167440588
N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-3,3-dimethylbutanamide
CID 24937204
N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;N-[4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 89483270
N-[4-(4,4-dideuterio-6-fluoro-1,3-dihydroisoquinolin-2-yl)-2-ethylsulfanyl-6-methylphenyl]-3,3-dimethylbutanamide
CID 168966964
N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-bis(trihydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 176950568
CID 176950572
CID 176950572
N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide
CID 73387982
N-[4-(2-fluoro-4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 147695605
N-[4-(7,8-difluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 167440599
N-[2,6-dimethyl-4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3,3-dimethylbutanamide
CID 58097328

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide (CID 123553871) is N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide is Cc1cc(C2=CCc3cc(F)ccc3C2)cc(C)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
The InChIKey is FSZBPEFBLQMWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO/c1-15-10-20(11-16(2)23(15)26-22(27)14-24(3,4)5)18-6-7-19-13-21(25)9-8-17(19)12-18/h6,8-11,13H,7,12,14H2,1-5H3,(H,26,27).
What are the key properties of N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide has a molecular weight of 365.49 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 123553871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).