ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate

C22H27FN2O3 — CID 174696998

IUPACethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N(C)c2cccc(F)c2C)cc1OC1CCCC1
InChIInChI=1S/C22H27FN2O3/c1-4-27-22(26)24-19-13-12-16(14-21(19)28-17-8-5-6-9-17)25(3)20-11-7-10-18(23)15(20)2/h7,10-14,17H,4-6,8-9H2,1-3H3,(H,24,26)
InChIKeyYGXXUANJJKGDRQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.79
Rot. Bonds6

About ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate

ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate (PubChem CID 174696998) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate
PubChem CID174696998
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Nameethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N(C)c2cccc(F)c2C)cc1OC1CCCC1
InChIInChI=1S/C22H27FN2O3/c1-4-27-22(26)24-19-13-12-16(14-21(19)28-17-8-5-6-9-17)25(3)20-11-7-10-18(23)15(20)2/h7,10-14,17H,4-6,8-9H2,1-3H3,(H,24,26)
InChIKeyYGXXUANJJKGDRQ-UHFFFAOYSA-N
XLogP5.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]-3-ethylurea
CID 67266931
S-ethyl N-[2-cyclopentyloxy-4-[(4-fluorophenyl)methyl-methylamino]phenyl]carbamothioate
CID 87331455
3-(2-cyclopentyloxy-4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010868
N-cyclopentyl-3-fluoro-N,2-dimethylaniline
CID 66962308
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate
CID 112738527
ethyl 4-(2-cyclohexyloxy-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 123436766
(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99856429
ethyl N-[4-(4-fluoro-N-methylanilino)-2-nitrophenyl]carbamate
CID 90017833
ethyl 2-[(4-chloro-5-cyclopentyloxy-2-fluorophenyl)carbamoyloxy]-3-methylbut-3-enoate
CID 15078084
propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate
CID 10247026
3-[3-cyclopentyloxy-N-[(2,6-difluorophenyl)methyl]-4-methoxyanilino]benzoic acid
CID 10049563

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate?
The IUPAC name of ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate (CID 174696998) is ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate is CCOC(=O)Nc1ccc(N(C)c2cccc(F)c2C)cc1OC1CCCC1.
What is the InChIKey of ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate?
The InChIKey is YGXXUANJJKGDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-4-27-22(26)24-19-13-12-16(14-21(19)28-17-8-5-6-9-17)25(3)20-11-7-10-18(23)15(20)2/h7,10-14,17H,4-6,8-9H2,1-3H3,(H,24,26).
What are the key properties of ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate?
ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate has a molecular weight of 386.47 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-cyclopentyloxy-4-(3-fluoro-N,2-dimethylanilino)phenyl]carbamate is sourced from PubChem (CID 174696998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).