4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide

C17H16FNO — CID 63213326

IUPAC4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide
SMILESCc1cc(C(=O)NC2CC2c2ccccc2)ccc1F
InChIInChI=1S/C17H16FNO/c1-11-9-13(7-8-15(11)18)17(20)19-16-10-14(16)12-5-3-2-4-6-12/h2-9,14,16H,10H2,1H3,(H,19,20)
InChIKeyUCMBBJIQMRKUNF-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.42
Rot. Bonds3

About 4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide

4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide (PubChem CID 63213326) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide
PubChem CID63213326
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide
SMILESCc1cc(C(=O)NC2CC2c2ccccc2)ccc1F
InChIInChI=1S/C17H16FNO/c1-11-9-13(7-8-15(11)18)17(20)19-16-10-14(16)12-5-3-2-4-6-12/h2-9,14,16H,10H2,1H3,(H,19,20)
InChIKeyUCMBBJIQMRKUNF-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-5-methyl-N-(2-phenylcyclopropyl)benzamide
CID 62513017
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
6-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 73011269
4-hydrazinyl-N-(2-phenylcyclopropyl)benzamide
CID 62249097
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
4-[(4-fluoro-3-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210093
N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095
5-fluoro-2-hydroxy-N-(2-phenylcyclopropyl)benzamide
CID 79881801
4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
2-(3-fluorophenyl)-N-[(1R,2S)-2-phenylcyclopropyl]-1,3-benzoxazole-5-carboxamide
CID 26336754

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide (CID 63213326) is 4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide is Cc1cc(C(=O)NC2CC2c2ccccc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide?
The InChIKey is UCMBBJIQMRKUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-11-9-13(7-8-15(11)18)17(20)19-16-10-14(16)12-5-3-2-4-6-12/h2-9,14,16H,10H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide?
4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide has a molecular weight of 269.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide is sourced from PubChem (CID 63213326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).