1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea

C16H23ClN2O3 — CID 60577123

IUPAC1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O3/c1-11(10-21-2)18-16(20)19-12-7-8-15(14(17)9-12)22-13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H2,18,19,20)
InChIKeyURFPDULXVVQHIB-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.82
Rot. Bonds6

About 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea

1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea (PubChem CID 60577123) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea
PubChem CID60577123
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O3/c1-11(10-21-2)18-16(20)19-12-7-8-15(14(17)9-12)22-13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H2,18,19,20)
InChIKeyURFPDULXVVQHIB-UHFFFAOYSA-N
XLogP3.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120987263
(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
CID 24528797
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431508
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 71886636
1-(1-methoxypropan-2-yl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 71991952
N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175612
1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea
CID 97341856
3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
CID 117425393
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea
CID 49111400
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
CID 94811602

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea?
The IUPAC name of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea (CID 60577123) is 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea?
The canonical SMILES for 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea is COCC(C)NC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea?
The InChIKey is URFPDULXVVQHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11(10-21-2)18-16(20)19-12-7-8-15(14(17)9-12)22-13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea?
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea has a molecular weight of 326.82 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea is sourced from PubChem (CID 60577123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).