6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide

C17H23FN2O — CID 138010516

IUPAC6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide
SMILESCc1cc(F)ccc1CN(C)C(=O)C1CC2CC(N)C2C1
InChIInChI=1S/C17H23FN2O/c1-10-5-14(18)4-3-11(10)9-20(2)17(21)13-6-12-8-16(19)15(12)7-13/h3-5,12-13,15-16H,6-9,19H2,1-2H3
InChIKeyRIRJFMHTDKKBMM-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.47
Rot. Bonds3

About 6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide

6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138010516) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138010516
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide
SMILESCc1cc(F)ccc1CN(C)C(=O)C1CC2CC(N)C2C1
InChIInChI=1S/C17H23FN2O/c1-10-5-14(18)4-3-11(10)9-20(2)17(21)13-6-12-8-16(19)15(12)7-13/h3-5,12-13,15-16H,6-9,19H2,1-2H3
InChIKeyRIRJFMHTDKKBMM-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161611
trans-(1S,3S)-3-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124685000
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702990
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
(4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 32896131
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 65063168
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid
CID 65056319
3-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115161721
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
CID 65063539
cis-(1S,2R)-2-[(2,4-dimethylphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091785

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of 6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide (CID 138010516) is 6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for 6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide is Cc1cc(F)ccc1CN(C)C(=O)C1CC2CC(N)C2C1.
What is the InChIKey of 6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is RIRJFMHTDKKBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-10-5-14(18)4-3-11(10)9-20(2)17(21)13-6-12-8-16(19)15(12)7-13/h3-5,12-13,15-16H,6-9,19H2,1-2H3.
What are the key properties of 6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide?
6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 290.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylbicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138010516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).