1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea

C15H21F2N3O — CID 94503931

IUPAC1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
SMILESCCCN1CC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C15H21F2N3O/c1-2-6-20-7-5-11(10-20)9-18-15(21)19-14-4-3-12(16)8-13(14)17/h3-4,8,11H,2,5-7,9-10H2,1H3,(H2,18,19,21)/t11-/m0/s1
InChIKeyRNUKSOPVHKYAPR-NSHDSACASA-N
MW297.35 g/mol
LogP2.82
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea

1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea (PubChem CID 94503931) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
PubChem CID94503931
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
SMILESCCCN1CC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C1
InChIInChI=1S/C15H21F2N3O/c1-2-6-20-7-5-11(10-20)9-18-15(21)19-14-4-3-12(16)8-13(14)17/h3-4,8,11H,2,5-7,9-10H2,1H3,(H2,18,19,21)/t11-/m0/s1
InChIKeyRNUKSOPVHKYAPR-NSHDSACASA-N
XLogP2.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94197353
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
1-(4-cyanophenyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 47070312
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 111453237
N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840473
4-(2,5-difluorophenyl)-N'-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 109451178
N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide
CID 95197793
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 60568343
1-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 119046461
5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414704

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea (CID 94503931) is 1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea is CCCN1CC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea?
The InChIKey is RNUKSOPVHKYAPR-NSHDSACASA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-2-6-20-7-5-11(10-20)9-18-15(21)19-14-4-3-12(16)8-13(14)17/h3-4,8,11H,2,5-7,9-10H2,1H3,(H2,18,19,21)/t11-/m0/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea?
1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea has a molecular weight of 297.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 94503931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).