2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide

C17H23FN2O — CID 115400531

IUPAC2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
SMILESCC1(C)C(Nc2ccc(F)c(C(N)=O)c2)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C17H23FN2O/c1-16(2)10-6-7-17(3,9-10)15(16)20-11-4-5-13(18)12(8-11)14(19)21/h4-5,8,10,15,20H,6-7,9H2,1-3H3,(H2,19,21)/t10-,15?,17+/m0/s1
InChIKeyNMKJZVDBIIBQCF-ZASYUTQCSA-N
MW290.38 g/mol
LogP3.55
Rot. Bonds3

About 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide

2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide (PubChem CID 115400531) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
PubChem CID115400531
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
SMILESCC1(C)C(Nc2ccc(F)c(C(N)=O)c2)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C17H23FN2O/c1-16(2)10-6-7-17(3,9-10)15(16)20-11-4-5-13(18)12(8-11)14(19)21/h4-5,8,10,15,20H,6-7,9H2,1-3H3,(H2,19,21)/t10-,15?,17+/m0/s1
InChIKeyNMKJZVDBIIBQCF-ZASYUTQCSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide with MolForge

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Related Compounds

N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide
CID 115400241
2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
CID 115400523
N-(2,6-difluoro-3-methylphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 82819008
(1R,4S)-N-[3-(difluoromethoxy)phenyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400528
3-bromo-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzenecarbothioamide
CID 82787613
5-(1-cyclopropylpropylamino)-2-fluorobenzamide
CID 64917346
(1R,4S)-N-[(3,4-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400732
(1R,4S)-N-(2-bromo-5-chlorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400922
(1R,4S)-N-(3-ethoxyphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400669
6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-2-carbothioamide
CID 64596471
5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
CID 65084046
2-fluoro-5-(oxepan-4-ylamino)benzamide
CID 65082139

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide?
The IUPAC name of 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide (CID 115400531) is 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide?
The canonical SMILES for 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide is CC1(C)C(Nc2ccc(F)c(C(N)=O)c2)[C@]2(C)CC[C@H]1C2.
What is the InChIKey of 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide?
The InChIKey is NMKJZVDBIIBQCF-ZASYUTQCSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-16(2)10-6-7-17(3,9-10)15(16)20-11-4-5-13(18)12(8-11)14(19)21/h4-5,8,10,15,20H,6-7,9H2,1-3H3,(H2,19,21)/t10-,15?,17+/m0/s1.
What are the key properties of 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide?
2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide has a molecular weight of 290.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide is sourced from PubChem (CID 115400531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).