N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

C25H22F2N2O2 — CID 24637004

IUPACN-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCC(C)C(NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H22F2N2O2/c1-14(2)23(29-24(30)22-20(26)8-5-9-21(22)27)25(31)28-17-10-11-19-16(13-17)12-15-6-3-4-7-18(15)19/h3-11,13-14,23H,12H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyIGXNSVKRZJBSAA-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.93
Rot. Bonds5

About N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (PubChem CID 24637004) has the molecular formula C25H22F2N2O2 and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
PubChem CID24637004
Molecular FormulaC25H22F2N2O2
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC NameN-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCC(C)C(NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H22F2N2O2/c1-14(2)23(29-24(30)22-20(26)8-5-9-21(22)27)25(31)28-17-10-11-19-16(13-17)12-15-6-3-4-7-18(15)19/h3-11,13-14,23H,12H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyIGXNSVKRZJBSAA-UHFFFAOYSA-N
XLogP4.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 7024146
2,6-difluoro-N-[3-methyl-1-(3-methylanilino)-1-oxobutan-2-yl]benzamide
CID 43006925
2,6-difluoro-N-[3-methyl-1-oxo-1-(3-propan-2-ylanilino)butan-2-yl]benzamide
CID 43005455
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 9138195
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
N-[1-[4-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 78776471
N-[1-[3-(difluoromethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55742227
N-[1-(3-ethynylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 51337726
2,6-difluoro-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 46525186
N-[(2S)-1-(4-butylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 24537925
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55335505
2,6-difluoro-N-[3-methyl-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)butan-2-yl]benzamide
CID 4963368

Frequently Asked Questions

What is the IUPAC name of N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (CID 24637004) is N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is CC(C)C(NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The InChIKey is IGXNSVKRZJBSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O2/c1-14(2)23(29-24(30)22-20(26)8-5-9-21(22)27)25(31)28-17-10-11-19-16(13-17)12-15-6-3-4-7-18(15)19/h3-11,13-14,23H,12H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide has a molecular weight of 420.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9H-fluoren-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 24637004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).