1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea

C18H18ClF3N2O2 — CID 113216560

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H18ClF3N2O2/c1-17(2,11-4-7-13(26-3)8-5-11)24-16(25)23-15-9-6-12(19)10-14(15)18(20,21)22/h4-10H,1-3H3,(H2,23,24,25)
InChIKeySAHVLCSIJMOCPU-UHFFFAOYSA-N
MW386.80 g/mol
LogP5.42
Rot. Bonds4

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea (PubChem CID 113216560) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
PubChem CID113216560
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H18ClF3N2O2/c1-17(2,11-4-7-13(26-3)8-5-11)24-16(25)23-15-9-6-12(19)10-14(15)18(20,21)22/h4-10H,1-3H3,(H2,23,24,25)
InChIKeySAHVLCSIJMOCPU-UHFFFAOYSA-N
XLogP5.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.80
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 2202420
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3744074
1-[(4-chlorophenoxy)methyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108885341
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41463972
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197689
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901052

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea (CID 113216560) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea is COc1ccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The InChIKey is SAHVLCSIJMOCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-17(2,11-4-7-13(26-3)8-5-11)24-16(25)23-15-9-6-12(19)10-14(15)18(20,21)22/h4-10H,1-3H3,(H2,23,24,25).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea has a molecular weight of 386.80 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 113216560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).