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

C23H30FN3O2 — CID 42705328

IUPACN-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide
SMILESCCCCCC(=O)NCCCN(C(=O)Nc1cccc(C)c1)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O2/c1-3-4-5-10-22(28)25-15-7-16-27(21-13-11-19(24)12-14-21)23(29)26-20-9-6-8-18(2)17-20/h6,8-9,11-14,17H,3-5,7,10,15-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyGBMPHTLOVFRSBX-UHFFFAOYSA-N
MW399.51 g/mol
LogP5.26
Rot. Bonds10

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

N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide (PubChem CID 42705328) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide.

Molecular Properties

Compound NameN-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide
PubChem CID42705328
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC NameN-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide
SMILESCCCCCC(=O)NCCCN(C(=O)Nc1cccc(C)c1)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O2/c1-3-4-5-10-22(28)25-15-7-16-27(21-13-11-19(24)12-14-21)23(29)26-20-9-6-8-18(2)17-20/h6,8-9,11-14,17H,3-5,7,10,15-16H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyGBMPHTLOVFRSBX-UHFFFAOYSA-N
XLogP5.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.51
LogP ≤ 55.26
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-[N-[(3-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]heptanamide
CID 42705829
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
CID 42707250
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
CID 42707249
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-phenylpropanamide
CID 42726244
N-[2-[4-fluoro-N-[(4-nitrophenyl)carbamoyl]anilino]ethyl]hexanamide
CID 42706929
N-[2-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]ethyl]-3,5,5-trimethylhexanamide
CID 42706900
1-[3-(butylcarbamoylamino)propyl]-3-(3,4-dichlorophenyl)-1-(4-fluorophenyl)urea
CID 42704685
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]hexanamide
CID 4656137
1-[3-(butylcarbamoylamino)propyl]-3-(4-chlorophenyl)-1-(4-fluorophenyl)urea
CID 42704493

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide?
The IUPAC name of N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide (CID 42705328) is N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide.
What is the SMILES notation for N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide?
The canonical SMILES for N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide is CCCCCC(=O)NCCCN(C(=O)Nc1cccc(C)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide?
The InChIKey is GBMPHTLOVFRSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-3-4-5-10-22(28)25-15-7-16-27(21-13-11-19(24)12-14-21)23(29)26-20-9-6-8-18(2)17-20/h6,8-9,11-14,17H,3-5,7,10,15-16H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide?
N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide has a molecular weight of 399.51 g/mol, XLogP of 5.26, 10 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-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide is sourced from PubChem (CID 42705328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).