2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide

C15H19FN2O3 — CID 107412478

IUPAC2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NCC2CCC(C)C2)c1F
InChIInChI=1S/C15H19FN2O3/c1-9-3-4-11(5-9)8-17-15(19)13-7-12(18(20)21)6-10(2)14(13)16/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyNMBSLYSLRITCPI-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.21
Rot. Bonds4

About 2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide

2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide (PubChem CID 107412478) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide
PubChem CID107412478
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NCC2CCC(C)C2)c1F
InChIInChI=1S/C15H19FN2O3/c1-9-3-4-11(5-9)8-17-15(19)13-7-12(18(20)21)6-10(2)14(13)16/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyNMBSLYSLRITCPI-UHFFFAOYSA-N
XLogP3.21
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitrobenzamide
CID 106027988
2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
CID 103297073
N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297364
N-[3-(cyclopropylamino)propyl]-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297688
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
2-fluoro-3-methyl-5-nitro-N-prop-2-ynylbenzamide
CID 103297090
N-(1-cyclopropylbutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297389
2-fluoro-N-[(2S)-2-hydroxypropyl]-3-methyl-5-nitrobenzamide
CID 103297676
2-fluoro-3-methyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 103297088
N-(2-cyanoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297255
4,5-difluoro-2-[(3-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107411339
2-fluoro-N-(4-methoxybutyl)-3-methyl-5-nitrobenzamide
CID 103297310

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide (CID 107412478) is 2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(C(=O)NCC2CCC(C)C2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide?
The InChIKey is NMBSLYSLRITCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-3-4-11(5-9)8-17-15(19)13-7-12(18(20)21)6-10(2)14(13)16/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,19).
What are the key properties of 2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide?
2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide has a molecular weight of 294.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(3-methylcyclopentyl)methyl]-5-nitrobenzamide is sourced from PubChem (CID 107412478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).