1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea

C23H31FN2O2 — CID 166350813

IUPAC1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea
SMILESCc1ccccc1C(CC(C)C)NC(=O)NCC(CO)Cc1ccccc1F
InChIInChI=1S/C23H31FN2O2/c1-16(2)12-22(20-10-6-4-8-17(20)3)26-23(28)25-14-18(15-27)13-19-9-5-7-11-21(19)24/h4-11,16,18,22,27H,12-15H2,1-3H3,(H2,25,26,28)
InChIKeyNLKBEFDIGTXNPX-UHFFFAOYSA-N
MW386.51 g/mol
LogP4.37
Rot. Bonds9

About 1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea

1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea (PubChem CID 166350813) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea
PubChem CID166350813
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC Name1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea
SMILESCc1ccccc1C(CC(C)C)NC(=O)NCC(CO)Cc1ccccc1F
InChIInChI=1S/C23H31FN2O2/c1-16(2)12-22(20-10-6-4-8-17(20)3)26-23(28)25-14-18(15-27)13-19-9-5-7-11-21(19)24/h4-11,16,18,22,27H,12-15H2,1-3H3,(H2,25,26,28)
InChIKeyNLKBEFDIGTXNPX-UHFFFAOYSA-N
XLogP4.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[3-methyl-1-(2-methylphenyl)butyl]amino]methyl]-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 167897478
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 51274243
2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide
CID 119782823
3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide
CID 111437226
2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
CID 119323120
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)propyl]acetamide
CID 133167009
1-[3-methyl-1-(2-methylphenyl)butyl]-3-pyridazin-3-ylurea
CID 126775065
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18082306
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 119323124
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea?
The IUPAC name of 1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea (CID 166350813) is 1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea is Cc1ccccc1C(CC(C)C)NC(=O)NCC(CO)Cc1ccccc1F.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea?
The InChIKey is NLKBEFDIGTXNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2/c1-16(2)12-22(20-10-6-4-8-17(20)3)26-23(28)25-14-18(15-27)13-19-9-5-7-11-21(19)24/h4-11,16,18,22,27H,12-15H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea?
1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea has a molecular weight of 386.51 g/mol, XLogP of 4.37, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea is sourced from PubChem (CID 166350813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).