3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea

C18H21F2N3O — CID 95628763

IUPAC3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCCN(C(=O)NCCc1ccc(F)cc1F)[C@H](C)c1cccnc1
InChIInChI=1S/C18H21F2N3O/c1-3-23(13(2)15-5-4-9-21-12-15)18(24)22-10-8-14-6-7-16(19)11-17(14)20/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyLQXHMFFERKVRKC-CYBMUJFWSA-N
MW333.38 g/mol
LogP3.69
Rot. Bonds6

About 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea

3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea (PubChem CID 95628763) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea
PubChem CID95628763
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCCN(C(=O)NCCc1ccc(F)cc1F)[C@H](C)c1cccnc1
InChIInChI=1S/C18H21F2N3O/c1-3-23(13(2)15-5-4-9-21-12-15)18(24)22-10-8-14-6-7-16(19)11-17(14)20/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyLQXHMFFERKVRKC-CYBMUJFWSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]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

3-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97099117
1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95628753
4-[[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]methyl]benzoic acid
CID 122021129
3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111538524
3-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-3-ylethyl)urea
CID 71972562
N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide
CID 124559510
1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95770446
3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
CID 62827671
3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95762797
1-methyl-3-[2-(1-phenylpyrazol-3-yl)ethyl]-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95316390

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea (CID 95628763) is 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea is CCN(C(=O)NCCc1ccc(F)cc1F)[C@H](C)c1cccnc1.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea?
The InChIKey is LQXHMFFERKVRKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-3-23(13(2)15-5-4-9-21-12-15)18(24)22-10-8-14-6-7-16(19)11-17(14)20/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea?
3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea has a molecular weight of 333.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 95628763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).