4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide

C24H24FN3O2 — CID 60577844

IUPAC4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide
SMILESCC(NC(=O)NCCNC(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24FN3O2/c1-17(18-7-9-20(10-8-18)19-5-3-2-4-6-19)28-24(30)27-16-15-26-23(29)21-11-13-22(25)14-12-21/h2-14,17H,15-16H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyGRAYXKCUYZGNMH-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.28
Rot. Bonds7

About 4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide

4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide (PubChem CID 60577844) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide
PubChem CID60577844
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide
SMILESCC(NC(=O)NCCNC(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24FN3O2/c1-17(18-7-9-20(10-8-18)19-5-3-2-4-6-19)28-24(30)27-16-15-26-23(29)21-11-13-22(25)14-12-21/h2-14,17H,15-16H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyGRAYXKCUYZGNMH-UHFFFAOYSA-N
XLogP4.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide
CID 60577670
N-[2-(butan-2-ylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 47386650
4-methyl-N-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]benzamide
CID 46578985
N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056250
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]ethyl]-4-fluorobenzamide
CID 94657166
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-[(1S)-1-phenylethyl]-3-[8-[[(1S)-1-phenylethyl]carbamoylamino]octyl]urea
CID 102519107

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide (CID 60577844) is 4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide is CC(NC(=O)NCCNC(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide?
The InChIKey is GRAYXKCUYZGNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-17(18-7-9-20(10-8-18)19-5-3-2-4-6-19)28-24(30)27-16-15-26-23(29)21-11-13-22(25)14-12-21/h2-14,17H,15-16H2,1H3,(H,26,29)(H2,27,28,30).
What are the key properties of 4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide?
4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide has a molecular weight of 405.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[1-(4-phenylphenyl)ethylcarbamoylamino]ethyl]benzamide is sourced from PubChem (CID 60577844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).