1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea

C16H17F2N3O — CID 97318670

IUPAC1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
SMILESCC[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccncc1
InChIInChI=1S/C16H17F2N3O/c1-2-14(11-6-8-19-9-7-11)21-16(22)20-13-5-3-4-12(10-13)15(17)18/h3-10,14-15H,2H2,1H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyJGSYREFVTCIGOK-AWEZNQCLSA-N
MW305.33 g/mol
LogP4.29
Rot. Bonds5

About 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea

1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea (PubChem CID 97318670) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
PubChem CID97318670
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
SMILESCC[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccncc1
InChIInChI=1S/C16H17F2N3O/c1-2-14(11-6-8-19-9-7-11)21-16(22)20-13-5-3-4-12(10-13)15(17)18/h3-10,14-15H,2H2,1H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyJGSYREFVTCIGOK-AWEZNQCLSA-N
XLogP4.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
N-[2-chloro-5-(1-pyridin-4-ylpropylcarbamoylamino)phenyl]acetamide
CID 167829363
1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 61340581
ethyl (2R,3S)-3-[[3-(difluoromethyl)phenyl]carbamoylamino]-2-methylbutanoate
CID 129402429
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
ethyl 3-(1-phenylpropylcarbamoylamino)benzoate
CID 3804159
1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95899569
2-(3-hydroxyphenyl)-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 99817638
1-[3-(difluoromethyl)phenyl]-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97318672
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea (CID 97318670) is 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea is CC[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccncc1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
The InChIKey is JGSYREFVTCIGOK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-2-14(11-6-8-19-9-7-11)21-16(22)20-13-5-3-4-12(10-13)15(17)18/h3-10,14-15H,2H2,1H3,(H2,20,21,22)/t14-/m0/s1.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea has a molecular weight of 305.33 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea is sourced from PubChem (CID 97318670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).