N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide

C21H21FN2O2 — CID 55894282

IUPACN-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(CNC(=O)C2CC=CCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c22-18-11-9-17(10-12-18)21(26)24-19-8-4-5-15(13-19)14-23-20(25)16-6-2-1-3-7-16/h1-2,4-5,8-13,16H,3,6-7,14H2,(H,23,25)(H,24,26)
InChIKeyBUXBPKAPKMZSOP-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.05
Rot. Bonds5

About N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide

N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide (PubChem CID 55894282) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide
PubChem CID55894282
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(CNC(=O)C2CC=CCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c22-18-11-9-17(10-12-18)21(26)24-19-8-4-5-15(13-19)14-23-20(25)16-6-2-1-3-7-16/h1-2,4-5,8-13,16H,3,6-7,14H2,(H,23,25)(H,24,26)
InChIKeyBUXBPKAPKMZSOP-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741551
(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 125447493
2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55893391
N-[3-[(pyrrolidine-3-carbonylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119861037
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077
N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
N-[(2R)-butan-2-yl]-3-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]benzamide
CID 94181986
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926249
4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide
CID 133371592
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873

Frequently Asked Questions

What is the IUPAC name of N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide (CID 55894282) is N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide is O=C(Nc1cccc(CNC(=O)C2CC=CCC2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide?
The InChIKey is BUXBPKAPKMZSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-18-11-9-17(10-12-18)21(26)24-19-8-4-5-15(13-19)14-23-20(25)16-6-2-1-3-7-16/h1-2,4-5,8-13,16H,3,6-7,14H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide?
N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide has a molecular weight of 352.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 55894282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).