1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea

C19H22FN3O — CID 97320644

IUPAC1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1cccnc1
InChIInChI=1S/C19H22FN3O/c1-14(15-7-5-11-21-12-15)22-19(24)23(17-8-4-9-17)13-16-6-2-3-10-18(16)20/h2-3,5-7,10-12,14,17H,4,8-9,13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyDEMLCVMGBJMTSE-AWEZNQCLSA-N
MW327.40 g/mol
LogP4.05
Rot. Bonds5

About 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea

1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea (PubChem CID 97320644) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
PubChem CID97320644
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
SMILESC[C@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1cccnc1
InChIInChI=1S/C19H22FN3O/c1-14(15-7-5-11-21-12-15)22-19(24)23(17-8-4-9-17)13-16-6-2-3-10-18(16)20/h2-3,5-7,10-12,14,17H,4,8-9,13H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyDEMLCVMGBJMTSE-AWEZNQCLSA-N
XLogP4.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 71970862
1-cyclobutyl-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 97224559
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97224479
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 97224410
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95628753
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-(cyclopentylamino)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404213
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 18168761
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea (CID 97320644) is 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea is C[C@H](NC(=O)N(Cc1ccccc1F)C1CCC1)c1cccnc1.
What is the InChIKey of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
The InChIKey is DEMLCVMGBJMTSE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-14(15-7-5-11-21-12-15)22-19(24)23(17-8-4-9-17)13-16-6-2-3-10-18(16)20/h2-3,5-7,10-12,14,17H,4,8-9,13H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea?
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea has a molecular weight of 327.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 97320644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).