N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide

C24H24FN3O2 — CID 42725862

IUPACN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
SMILESCc1ccc(NC(=O)N(CCCNC(=O)c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H24FN3O2/c1-18-8-12-21(13-9-18)27-24(30)28(22-14-10-20(25)11-15-22)17-5-16-26-23(29)19-6-3-2-4-7-19/h2-4,6-15H,5,16-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyDXLOUQKTESWHBH-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.99
Rot. Bonds7

About N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide

N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide (PubChem CID 42725862) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
PubChem CID42725862
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
SMILESCc1ccc(NC(=O)N(CCCNC(=O)c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H24FN3O2/c1-18-8-12-21(13-9-18)27-24(30)28(22-14-10-20(25)11-15-22)17-5-16-26-23(29)19-6-3-2-4-7-19/h2-4,6-15H,5,16-17H2,1H3,(H,26,29)(H,27,30)
InChIKeyDXLOUQKTESWHBH-UHFFFAOYSA-N
XLogP4.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide
CID 42704534
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
CID 42726048
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244
4-butyl-N-[3-[N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42702208
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
CID 42726462
2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 4661824
2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium
CID 6941397
1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
CID 770559
N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]-3-nitrobenzamide
CID 42705325
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3,5,5-trimethylhexanamide
CID 42726117

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide?
The IUPAC name of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide (CID 42725862) is N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide.
What is the SMILES notation for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide?
The canonical SMILES for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide is Cc1ccc(NC(=O)N(CCCNC(=O)c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide?
The InChIKey is DXLOUQKTESWHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-18-8-12-21(13-9-18)27-24(30)28(22-14-10-20(25)11-15-22)17-5-16-26-23(29)19-6-3-2-4-7-19/h2-4,6-15H,5,16-17H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide?
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide has a molecular weight of 405.47 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide is sourced from PubChem (CID 42725862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).