1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea

C20H27ClN2O4 — CID 97349350

IUPAC1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea
SMILESO=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C20H27ClN2O4/c21-17-12-14(7-8-18(17)27-16-5-1-2-6-16)22-19(24)23-15-4-3-9-20(13-15)25-10-11-26-20/h7-8,12,15-16H,1-6,9-11,13H2,(H2,22,23,24)/t15-/m1/s1
InChIKeyNPLZGDVJVKFNLF-OAHLLOKOSA-N
MW394.90 g/mol
LogP4.47
Rot. Bonds4

About 1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea

1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea (PubChem CID 97349350) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea
PubChem CID97349350
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC Name1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea
SMILESO=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C20H27ClN2O4/c21-17-12-14(7-8-18(17)27-16-5-1-2-6-16)22-19(24)23-15-4-3-9-20(13-15)25-10-11-26-20/h7-8,12,15-16H,1-6,9-11,13H2,(H2,22,23,24)/t15-/m1/s1
InChIKeyNPLZGDVJVKFNLF-OAHLLOKOSA-N
XLogP4.47
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
2,5-dichloro-N-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide
CID 124885820
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1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
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1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
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CID 150644180
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
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N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea?
The IUPAC name of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea (CID 97349350) is 1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea?
The canonical SMILES for 1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea is O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N[C@@H]1CCCC2(C1)OCCO2.
What is the InChIKey of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea?
The InChIKey is NPLZGDVJVKFNLF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c21-17-12-14(7-8-18(17)27-16-5-1-2-6-16)22-19(24)23-15-4-3-9-20(13-15)25-10-11-26-20/h7-8,12,15-16H,1-6,9-11,13H2,(H2,22,23,24)/t15-/m1/s1.
What are the key properties of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea?
1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea has a molecular weight of 394.90 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclopentyloxyphenyl)-3-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]urea is sourced from PubChem (CID 97349350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).