2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide

C13H16FNO — CID 103765513

IUPAC2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2(C)CC2)c1F
InChIInChI=1S/C13H16FNO/c1-9-4-3-5-10(11(9)14)12(16)15-8-13(2)6-7-13/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyHGMGWCZIXSPJAQ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.66
Rot. Bonds3

About 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide

2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide (PubChem CID 103765513) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
PubChem CID103765513
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2(C)CC2)c1F
InChIInChI=1S/C13H16FNO/c1-9-4-3-5-10(11(9)14)12(16)15-8-13(2)6-7-13/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyHGMGWCZIXSPJAQ-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 80710754
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 113257623
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182
3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103873632
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103820345
5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide (CID 103765513) is 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide is Cc1cccc(C(=O)NCC2(C)CC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide?
The InChIKey is HGMGWCZIXSPJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-4-3-5-10(11(9)14)12(16)15-8-13(2)6-7-13/h3-5H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide?
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide has a molecular weight of 221.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 103765513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).