N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide

C23H30FN3O2 — CID 42707249

IUPACN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCN(C(=O)Nc1ccccc1C)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O2/c1-3-4-5-6-11-22(28)25-16-17-27(20-14-12-19(24)13-15-20)23(29)26-21-10-8-7-9-18(21)2/h7-10,12-15H,3-6,11,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVPKSJPFMFAYHKV-UHFFFAOYSA-N
MW399.51 g/mol
LogP5.26
Rot. Bonds10

About N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide

N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide (PubChem CID 42707249) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide.

Molecular Properties

Compound NameN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
PubChem CID42707249
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC NameN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
SMILESCCCCCCC(=O)NCCN(C(=O)Nc1ccccc1C)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O2/c1-3-4-5-6-11-22(28)25-16-17-27(20-14-12-19(24)13-15-20)23(29)26-21-10-8-7-9-18(21)2/h7-10,12-15H,3-6,11,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVPKSJPFMFAYHKV-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-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
CID 42707250
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
CID 42726462
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide
CID 42726504
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707248
N-[3-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]propyl]hexanamide
CID 42705328
N-[2-[4-fluoro-N-[(4-nitrophenyl)carbamoyl]anilino]ethyl]hexanamide
CID 42706929
N-[2-(octanoylamino)ethyl]-N-phenylbenzamide
CID 42704591
N-[3-[N-[(3-methylphenyl)carbamoyl]-4-phenoxyanilino]propyl]heptanamide
CID 42705829
1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea
CID 11647475
N-(2-methylphenyl)-3-oxododecanamide
CID 25129600

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide?
The IUPAC name of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide (CID 42707249) is N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide.
What is the SMILES notation for N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide?
The canonical SMILES for N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide is CCCCCCC(=O)NCCN(C(=O)Nc1ccccc1C)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide?
The InChIKey is VPKSJPFMFAYHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-3-4-5-6-11-22(28)25-16-17-27(20-14-12-19(24)13-15-20)23(29)26-21-10-8-7-9-18(21)2/h7-10,12-15H,3-6,11,16-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide?
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide 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-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide is sourced from PubChem (CID 42707249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).