N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

C21H22F2N2O2 — CID 55877687

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C21H22F2N2O2/c1-12-10-16(12)21(27)25-15-8-6-14(7-9-15)20(26)24-13(2)11-17-18(22)4-3-5-19(17)23/h3-9,12-13,16H,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyVSHPLTMXTDHCRX-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.92
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 55877687) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID55877687
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C21H22F2N2O2/c1-12-10-16(12)21(27)25-15-8-6-14(7-9-15)20(26)24-13(2)11-17-18(22)4-3-5-19(17)23/h3-9,12-13,16H,10-11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyVSHPLTMXTDHCRX-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylcyclopropanecarbonyl)amino]-N-(4-methyl-4-phenylpentan-2-yl)benzamide
CID 60591962
N-[(2S,3S)-3-hydroxy-4-phenylbutan-2-yl]-4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 124777410
(2S,3S)-3-methyl-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]pentanoic acid
CID 119194021
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide
CID 55861005
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
4-methoxy-2-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 120702208
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
CID 166187099
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 55877687) is N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC(Cc1c(F)cccc1F)NC(=O)c1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is VSHPLTMXTDHCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-12-10-16(12)21(27)25-15-8-6-14(7-9-15)20(26)24-13(2)11-17-18(22)4-3-5-19(17)23/h3-9,12-13,16H,10-11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 372.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 55877687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).