1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea

C18H21FN2O2 — CID 38204563

IUPAC1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESC[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(2-3-14-6-10-17(22)11-7-14)21-18(23)20-12-15-4-8-16(19)9-5-15/h4-11,13,22H,2-3,12H2,1H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyBIDUAQRKOGIKOO-ZDUSSCGKSA-N
MW316.38 g/mol
LogP3.35
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea

1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea (PubChem CID 38204563) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
PubChem CID38204563
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESC[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(2-3-14-6-10-17(22)11-7-14)21-18(23)20-12-15-4-8-16(19)9-5-15/h4-11,13,22H,2-3,12H2,1H3,(H2,20,21,23)/t13-/m0/s1
InChIKeyBIDUAQRKOGIKOO-ZDUSSCGKSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60544210
methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate
CID 43066055
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111438069
1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111103971
1-[(2,5-dimethylphenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 168974029
(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
CID 38214366
1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111337923
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 110895529
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 75865074

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea (CID 38204563) is 1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea is C[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea?
The InChIKey is BIDUAQRKOGIKOO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(2-3-14-6-10-17(22)11-7-14)21-18(23)20-12-15-4-8-16(19)9-5-15/h4-11,13,22H,2-3,12H2,1H3,(H2,20,21,23)/t13-/m0/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea?
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea has a molecular weight of 316.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 38204563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).