1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea

C22H28FN3O2 — CID 67266931

IUPAC1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(N(C)Cc2ccc(F)cc2)cc1OC1CCCC1
InChIInChI=1S/C22H28FN3O2/c1-3-24-22(27)25-20-13-12-18(14-21(20)28-19-6-4-5-7-19)26(2)15-16-8-10-17(23)11-9-16/h8-14,19H,3-7,15H2,1-2H3,(H2,24,25,27)
InChIKeyXXORMBACYMRYFK-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.92
Rot. Bonds7

About 1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea

1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea (PubChem CID 67266931) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea
PubChem CID67266931
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(N(C)Cc2ccc(F)cc2)cc1OC1CCCC1
InChIInChI=1S/C22H28FN3O2/c1-3-24-22(27)25-20-13-12-18(14-21(20)28-19-6-4-5-7-19)26(2)15-16-8-10-17(23)11-9-16/h8-14,19H,3-7,15H2,1-2H3,(H2,24,25,27)
InChIKeyXXORMBACYMRYFK-UHFFFAOYSA-N
XLogP4.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S-ethyl N-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]carbamothioate
CID 87331455
propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate
CID 10247026
3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010868
ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate
CID 174696998
1-(2-cyclopentyloxy-4-fluorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 71913952
(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99856429
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9300301
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea
CID 82508247
tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate
CID 118242693

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea?
The IUPAC name of 1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea (CID 67266931) is 1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea.
What is the SMILES notation for 1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea?
The canonical SMILES for 1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea is CCNC(=O)Nc1ccc(N(C)Cc2ccc(F)cc2)cc1OC1CCCC1.
What is the InChIKey of 1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea?
The InChIKey is XXORMBACYMRYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-3-24-22(27)25-20-13-12-18(14-21(20)28-19-6-4-5-7-19)26(2)15-16-8-10-17(23)11-9-16/h8-14,19H,3-7,15H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea?
1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea has a molecular weight of 385.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea is sourced from PubChem (CID 67266931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).