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

C26H28FN3O2 — CID 42726244

IUPACN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
SMILESCc1ccc(NC(=O)N(CCCNC(=O)CCc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28FN3O2/c1-20-8-13-23(14-9-20)29-26(32)30(24-15-11-22(27)12-16-24)19-5-18-28-25(31)17-10-21-6-3-2-4-7-21/h2-4,6-9,11-16H,5,10,17-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyCLXIVCOOCBUZHM-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.31
Rot. Bonds9

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

N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide (PubChem CID 42726244) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
PubChem CID42726244
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC NameN-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
SMILESCc1ccc(NC(=O)N(CCCNC(=O)CCc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H28FN3O2/c1-20-8-13-23(14-9-20)29-26(32)30(24-15-11-22(27)12-16-24)19-5-18-28-25(31)17-10-21-6-3-2-4-7-21/h2-4,6-9,11-16H,5,10,17-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyCLXIVCOOCBUZHM-UHFFFAOYSA-N
XLogP5.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.31
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-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
CID 42726462
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
CID 42726048
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3,5,5-trimethylhexanamide
CID 42726117
N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]-2-(4-methoxyphenyl)acetamide
CID 42704529
N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide
CID 42705328
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
4-butyl-N-[3-[N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42702208
4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide
CID 42704534
2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 4661824

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide (CID 42726244) is N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide is Cc1ccc(NC(=O)N(CCCNC(=O)CCc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide?
The InChIKey is CLXIVCOOCBUZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-20-8-13-23(14-9-20)29-26(32)30(24-15-11-22(27)12-16-24)19-5-18-28-25(31)17-10-21-6-3-2-4-7-21/h2-4,6-9,11-16H,5,10,17-19H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide?
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide has a molecular weight of 433.53 g/mol, XLogP of 5.31, 9 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]-3-phenylpropanamide is sourced from PubChem (CID 42726244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).