1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea

C19H24FN3O — CID 95628753

IUPAC1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCCN(C(=O)N[C@@H](C)Cc1ccccc1F)[C@H](C)c1cccnc1
InChIInChI=1S/C19H24FN3O/c1-4-23(15(3)17-9-7-11-21-13-17)19(24)22-14(2)12-16-8-5-6-10-18(16)20/h5-11,13-15H,4,12H2,1-3H3,(H,22,24)/t14-,15+/m0/s1
InChIKeyPGINHOHCXGWEKG-LSDHHAIUSA-N
MW329.42 g/mol
LogP3.94
Rot. Bonds6

About 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea

1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea (PubChem CID 95628753) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea
PubChem CID95628753
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCCN(C(=O)N[C@@H](C)Cc1ccccc1F)[C@H](C)c1cccnc1
InChIInChI=1S/C19H24FN3O/c1-4-23(15(3)17-9-7-11-21-13-17)19(24)22-14(2)12-16-8-5-6-10-18(16)20/h5-11,13-15H,4,12H2,1-3H3,(H,22,24)/t14-,15+/m0/s1
InChIKeyPGINHOHCXGWEKG-LSDHHAIUSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea with MolForge

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Related Compounds

3-[2-(2,4-difluorophenyl)ethyl]-1-ethyl-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95628763
2-(2-fluorophenyl)-1-pyridin-3-ylethanol
CID 60797488
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
4-[[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]methyl]benzoic acid
CID 122021129
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 97320644
3-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97099117
2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025461
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404441
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 18168761
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea (CID 95628753) is 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea is CCN(C(=O)N[C@@H](C)Cc1ccccc1F)[C@H](C)c1cccnc1.
What is the InChIKey of 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea?
The InChIKey is PGINHOHCXGWEKG-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-4-23(15(3)17-9-7-11-21-13-17)19(24)22-14(2)12-16-8-5-6-10-18(16)20/h5-11,13-15H,4,12H2,1-3H3,(H,22,24)/t14-,15+/m0/s1.
What are the key properties of 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea?
1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea has a molecular weight of 329.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 95628753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).