3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea

C24H32FN3O — CID 55816833

IUPAC3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
SMILESCC(c1ccccc1F)N(C)C(=O)Nc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C24H32FN3O/c1-18(21-14-8-9-15-22(21)25)28(3)24(29)26-23-16-10-7-11-19(23)17-27(2)20-12-5-4-6-13-20/h7-11,14-16,18,20H,4-6,12-13,17H2,1-3H3,(H,26,29)
InChIKeyINNFYMNXNCQRPB-UHFFFAOYSA-N
MW397.54 g/mol
LogP5.82
Rot. Bonds6

About 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea

3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea (PubChem CID 55816833) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
PubChem CID55816833
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
SMILESCC(c1ccccc1F)N(C)C(=O)Nc1ccccc1CN(C)C1CCCCC1
InChIInChI=1S/C24H32FN3O/c1-18(21-14-8-9-15-22(21)25)28(3)24(29)26-23-16-10-7-11-19(23)17-27(2)20-12-5-4-6-13-20/h7-11,14-16,18,20H,4-6,12-13,17H2,1-3H3,(H,26,29)
InChIKeyINNFYMNXNCQRPB-UHFFFAOYSA-N
XLogP5.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea with MolForge

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Related Compounds

3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-methyl-1-[1-(3-nitrophenyl)ethyl]urea
CID 47032536
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 52556439
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(3-hydroxybutyl)urea
CID 111336789
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-phenoxypropanamide
CID 42940630
1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 87009755
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 97088995
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43042241
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432249
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea (CID 55816833) is 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea is CC(c1ccccc1F)N(C)C(=O)Nc1ccccc1CN(C)C1CCCCC1.
What is the InChIKey of 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is INNFYMNXNCQRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O/c1-18(21-14-8-9-15-22(21)25)28(3)24(29)26-23-16-10-7-11-19(23)17-27(2)20-12-5-4-6-13-20/h7-11,14-16,18,20H,4-6,12-13,17H2,1-3H3,(H,26,29).
What are the key properties of 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea?
3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 397.54 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-1-[1-(2-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 55816833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).