1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea

C21H18ClFN2O2 — CID 108988928

IUPAC1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClFN2O2/c22-17-5-1-16(2-6-17)14-27-20-11-9-19(10-12-20)25-21(26)24-13-15-3-7-18(23)8-4-15/h1-12H,13-14H2,(H2,24,25,26)
InChIKeyCYQJHWIQLAKZOJ-UHFFFAOYSA-N
MW384.84 g/mol
LogP5.38
Rot. Bonds6

About 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea

1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 108988928) has the molecular formula C21H18ClFN2O2 and a molecular weight of 384.84 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID108988928
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.84 g/mol
Exact Mass384.10
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClFN2O2/c22-17-5-1-16(2-6-17)14-27-20-11-9-19(10-12-20)25-21(26)24-13-15-3-7-18(23)8-4-15/h1-12H,13-14H2,(H2,24,25,26)
InChIKeyCYQJHWIQLAKZOJ-UHFFFAOYSA-N
XLogP5.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.84
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(furan-2-ylmethyl)urea
CID 108988736
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549
1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol
CID 170159287
1-(4-phenylmethoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3514022
2-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]carbamoyl]benzamide
CID 20524381
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
1-[(4-fluorophenyl)methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 2210967
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea (CID 108988928) is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is CYQJHWIQLAKZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O2/c22-17-5-1-16(2-6-17)14-27-20-11-9-19(10-12-20)25-21(26)24-13-15-3-7-18(23)8-4-15/h1-12H,13-14H2,(H2,24,25,26).
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea?
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 384.84 g/mol, XLogP of 5.38, 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-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 108988928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).