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

C17H19ClN2O2 — CID 108987803

IUPAC1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-2-11-19-17(21)20-15-7-9-16(10-8-15)22-12-13-3-5-14(18)6-4-13/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyNBWMADPTHZENFI-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.45
Rot. Bonds6

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

1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea (PubChem CID 108987803) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
PubChem CID108987803
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-2-11-19-17(21)20-15-7-9-16(10-8-15)22-12-13-3-5-14(18)6-4-13/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyNBWMADPTHZENFI-UHFFFAOYSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
CID 108941522
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[4-(2-aminoethoxy)phenyl]-3-propylurea
CID 43175658
5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide
CID 109179216
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
CID 109011723
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea
CID 108988736
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
CID 108986374
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea (CID 108987803) is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea?
The InChIKey is NBWMADPTHZENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-11-19-17(21)20-15-7-9-16(10-8-15)22-12-13-3-5-14(18)6-4-13/h3-10H,2,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea?
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea has a molecular weight of 318.80 g/mol, XLogP of 4.45, 6 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-propylurea is sourced from PubChem (CID 108987803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).