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

C15H20FNO — CID 113257623

IUPAC2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
SMILESCCCC1(CNC(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C15H20FNO/c1-3-7-15(8-9-15)10-17-14(18)12-6-4-5-11(2)13(12)16/h4-6H,3,7-10H2,1-2H3,(H,17,18)
InChIKeyHJCPVHQYANSCQE-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.44
Rot. Bonds5

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

2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide (PubChem CID 113257623) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
PubChem CID113257623
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
SMILESCCCC1(CNC(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C15H20FNO/c1-3-7-15(8-9-15)10-17-14(18)12-6-4-5-11(2)13(12)16/h4-6H,3,7-10H2,1-2H3,(H,17,18)
InChIKeyHJCPVHQYANSCQE-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
3-hydroxy-2-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103873764
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103765513
2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762311
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 80710754
N-[(1-ethylcyclopropyl)methyl]-2-iodo-3-methylbenzamide
CID 103737209
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide (CID 113257623) is 2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide is CCCC1(CNC(=O)c2cccc(C)c2F)CC1.
What is the InChIKey of 2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide?
The InChIKey is HJCPVHQYANSCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-3-7-15(8-9-15)10-17-14(18)12-6-4-5-11(2)13(12)16/h4-6H,3,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide?
2-fluoro-3-methyl-N-[(1-propylcyclopropyl)methyl]benzamide has a molecular weight of 249.33 g/mol, XLogP of 3.44, 5 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-propylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 113257623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).