1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea

C15H24FN3O — CID 47032291

IUPAC1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea
SMILESCCN(CC)C(C)CNC(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C15H24FN3O/c1-5-19(6-2)12(4)10-17-15(20)18-14-8-7-11(3)9-13(14)16/h7-9,12H,5-6,10H2,1-4H3,(H2,17,18,20)
InChIKeyLBRWJRCNOPHSSI-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.99
Rot. Bonds6

About 1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea

1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea (PubChem CID 47032291) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea
PubChem CID47032291
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea
SMILESCCN(CC)C(C)CNC(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C15H24FN3O/c1-5-19(6-2)12(4)10-17-15(20)18-14-8-7-11(3)9-13(14)16/h7-9,12H,5-6,10H2,1-4H3,(H2,17,18,20)
InChIKeyLBRWJRCNOPHSSI-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylpentyl)-3-(2-fluoro-4-methylphenyl)urea
CID 144685819
1-[(2S)-2-(diethylamino)propyl]-3-(2,5-dimethylphenyl)urea
CID 51943970
1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea
CID 51579414
3-fluoro-4-(2-methylpropylcarbamoylamino)benzoic acid
CID 63190192
(2S)-2-[(2-fluoro-4-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61199980
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 46494085
1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea
CID 60545361
1-(2-fluoro-4-methylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987160
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
2-ethyl-N-(2-fluoro-4-methylphenyl)pentanamide
CID 145282464
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea (CID 47032291) is 1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea is CCN(CC)C(C)CNC(=O)Nc1ccc(C)cc1F.
What is the InChIKey of 1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea?
The InChIKey is LBRWJRCNOPHSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-5-19(6-2)12(4)10-17-15(20)18-14-8-7-11(3)9-13(14)16/h7-9,12H,5-6,10H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea?
1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea has a molecular weight of 281.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 47032291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).