3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea

C19H23FN2O2 — CID 110896607

IUPAC3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-2-12-22(13-14-23)19(24)21-18(15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,18,23H,2,12-14H2,1H3,(H,21,24)
InChIKeyVPDNGSCODKFAJN-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.33
Rot. Bonds7

About 3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea

3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 110896607) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea
PubChem CID110896607
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-2-12-22(13-14-23)19(24)21-18(15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,18,23H,2,12-14H2,1H3,(H,21,24)
InChIKeyVPDNGSCODKFAJN-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzhydryl-1,1-bis(2-hydroxyethyl)urea
CID 108867415
3-benzhydryl-1,1-dibutylurea
CID 108867480
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110894919
1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea
CID 110882611
3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110882607
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
CID 99784106
N-[(4-fluorophenyl)-phenylmethyl]-2-methoxyacetamide
CID 47161833
4-fluoro-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425387
1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 110894923
3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110896534
3-benzhydryl-1,1-dimethylurea
CID 2228466

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea (CID 110896607) is 3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)NC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is VPDNGSCODKFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-2-12-22(13-14-23)19(24)21-18(15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,18,23H,2,12-14H2,1H3,(H,21,24).
What are the key properties of 3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea?
3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 330.40 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 110896607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).