N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

C18H17FN2O2 — CID 39889326

IUPACN-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H17FN2O2/c1-11-9-14(11)18(23)20-13-6-4-5-12(10-13)17(22)21-16-8-3-2-7-15(16)19/h2-8,10-11,14H,9H2,1H3,(H,20,23)(H,21,22)/t11-,14-/m0/s1
InChIKeyGMOZCCJXSZPVSC-FZMZJTMJSA-N
MW312.34 g/mol
LogP3.67
Rot. Bonds4

About N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (PubChem CID 39889326) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
PubChem CID39889326
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H17FN2O2/c1-11-9-14(11)18(23)20-13-6-4-5-12(10-13)17(22)21-16-8-3-2-7-15(16)19/h2-8,10-11,14H,9H2,1H3,(H,20,23)(H,21,22)/t11-,14-/m0/s1
InChIKeyGMOZCCJXSZPVSC-FZMZJTMJSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 95568631
N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60528421
N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52523750
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55669195
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-chloro-2-(dimethylamino)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55763063
3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 94151705
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
1-N-(2-fluorophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141026
N-[2-(4-fluorophenyl)ethyl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38705932
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide (CID 39889326) is N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
The InChIKey is GMOZCCJXSZPVSC-FZMZJTMJSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-9-14(11)18(23)20-13-6-4-5-12(10-13)17(22)21-16-8-3-2-7-15(16)19/h2-8,10-11,14H,9H2,1H3,(H,20,23)(H,21,22)/t11-,14-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide?
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide has a molecular weight of 312.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 39889326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).