1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea

C16H21ClF2N2O3 — CID 49111400

IUPAC1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea
SMILESO=C(NCCCOC1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C16H21ClF2N2O3/c17-13-10-11(6-7-14(13)24-15(18)19)21-16(22)20-8-3-9-23-12-4-1-2-5-12/h6-7,10,12,15H,1-5,8-9H2,(H2,20,21,22)
InChIKeyRJCNAEZGVJJCHP-UHFFFAOYSA-N
MW362.80 g/mol
LogP4.41
Rot. Bonds8

About 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea (PubChem CID 49111400) has the molecular formula C16H21ClF2N2O3 and a molecular weight of 362.80 g/mol. Its IUPAC name is 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea.

Molecular Properties

Compound Name1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea
PubChem CID49111400
Molecular FormulaC16H21ClF2N2O3
Molecular Weight362.80 g/mol
Exact Mass362.12
IUPAC Name1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea
SMILESO=C(NCCCOC1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C16H21ClF2N2O3/c17-13-10-11(6-7-14(13)24-15(18)19)21-16(22)20-8-3-9-23-12-4-1-2-5-12/h6-7,10,12,15H,1-5,8-9H2,(H2,20,21,22)
InChIKeyRJCNAEZGVJJCHP-UHFFFAOYSA-N
XLogP4.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.80
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-(3-cyclohexyloxypropyl)urea
CID 27870222
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 18225712
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
1-(3-cyclopentyloxypropyl)-3-(1,3-dioxoisoindol-5-yl)urea
CID 48951773
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
1-(4-bromo-3-chlorophenyl)-3-(3-cyclohexyloxypropyl)thiourea
CID 100699692
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
1-(3-cyclopentyloxypropyl)-3-[1-(2,2-difluoroethyl)pyrazol-4-yl]urea
CID 56795130
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515
4-[[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 122092297
1-[4-chloro-3-(difluoromethoxy)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 75451511
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea?
The IUPAC name of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea (CID 49111400) is 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea.
What is the SMILES notation for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea?
The canonical SMILES for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea is O=C(NCCCOC1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea?
The InChIKey is RJCNAEZGVJJCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF2N2O3/c17-13-10-11(6-7-14(13)24-15(18)19)21-16(22)20-8-3-9-23-12-4-1-2-5-12/h6-7,10,12,15H,1-5,8-9H2,(H2,20,21,22).
What are the key properties of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea?
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea has a molecular weight of 362.80 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-cyclopentyloxypropyl)urea is sourced from PubChem (CID 49111400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).