1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea

C19H21ClN2O2 — CID 108987888

IUPAC1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
SMILESO=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)NC1CCCC1
InChIInChI=1S/C19H21ClN2O2/c20-15-7-5-14(6-8-15)13-24-18-11-9-17(10-12-18)22-19(23)21-16-3-1-2-4-16/h5-12,16H,1-4,13H2,(H2,21,22,23)
InChIKeyBBHISDPTJWMJSR-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.98
Rot. Bonds5

About 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea

1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea (PubChem CID 108987888) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
PubChem CID108987888
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
SMILESO=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)NC1CCCC1
InChIInChI=1S/C19H21ClN2O2/c20-15-7-5-14(6-8-15)13-24-18-11-9-17(10-12-18)22-19(23)21-16-3-1-2-4-16/h5-12,16H,1-4,13H2,(H2,21,22,23)
InChIKeyBBHISDPTJWMJSR-UHFFFAOYSA-N
XLogP4.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
CID 108941138
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
2-[[4-[(4-chlorophenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 22688975
2-[4-[(4-chlorophenyl)methoxy]anilino]-N-cyclopropylacetamide
CID 108992910
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
1-cycloheptyl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47033897
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea (CID 108987888) is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea is O=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)NC1CCCC1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea?
The InChIKey is BBHISDPTJWMJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-15-7-5-14(6-8-15)13-24-18-11-9-17(10-12-18)22-19(23)21-16-3-1-2-4-16/h5-12,16H,1-4,13H2,(H2,21,22,23).
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea?
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea has a molecular weight of 344.84 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea is sourced from PubChem (CID 108987888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).