1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea

C19H24FN3O — CID 11674321

IUPAC1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea
SMILESCN(CCCCNC(=O)Nc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-23(15-16-9-11-17(20)12-10-16)14-6-5-13-21-19(24)22-18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-15H2,1H3,(H2,21,22,24)
InChIKeyRULKPOAZTRNABC-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.86
Rot. Bonds8

About 1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea

1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea (PubChem CID 11674321) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea
PubChem CID11674321
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea
SMILESCN(CCCCNC(=O)Nc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O/c1-23(15-16-9-11-17(20)12-10-16)14-6-5-13-21-19(24)22-18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-15H2,1H3,(H2,21,22,24)
InChIKeyRULKPOAZTRNABC-UHFFFAOYSA-N
XLogP3.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.86
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

5-[4-[(4-fluorophenyl)methyl-methylamino]butylcarbamoylamino]-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-dicarboxamide
CID 59862616
1-[3-[benzyl(methyl)amino]propyl]-3-(4-chlorophenyl)urea
CID 46647437
1-[3,5-bis(1-methyltetrazol-5-yl)phenyl]-3-[4-[(4-fluorophenyl)methyl-methylamino]butyl]urea
CID 59862607
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
1-[4-[hexyl(methyl)amino]butyl]-3-[4-[[4-[4-[hexyl(methyl)amino]butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139955906
N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
1-[4-(dimethylamino)butyl]-3-[4-[[4-[4-(dimethylamino)butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139956196
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-dodecyl-3-phenylurea
CID 3697946
1-[3-bromo-5-(1-methyltetrazol-5-yl)phenyl]-3-[4-[(4-fluorophenyl)methyl-methylamino]butyl]urea
CID 59862596
1-[3-[benzyl(methyl)amino]propyl]-3-(2,2,2-trifluoroethyl)urea
CID 115582781

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea (CID 11674321) is 1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea is CN(CCCCNC(=O)Nc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea?
The InChIKey is RULKPOAZTRNABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-23(15-16-9-11-17(20)12-10-16)14-6-5-13-21-19(24)22-18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea?
1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea has a molecular weight of 329.42 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea is sourced from PubChem (CID 11674321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).