1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea

C16H13Cl2F3N2O — CID 108900378

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCc1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13Cl2F3N2O/c17-11-5-6-14(12(9-11)16(19,20)21)23-15(24)22-8-7-10-3-1-2-4-13(10)18/h1-6,9H,7-8H2,(H2,22,23,24)
InChIKeySGPKYWYPZQYJBV-UHFFFAOYSA-N
MW377.19 g/mol
LogP5.38
Rot. Bonds4

About 1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea

1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea (PubChem CID 108900378) has the molecular formula C16H13Cl2F3N2O and a molecular weight of 377.19 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
PubChem CID108900378
Molecular FormulaC16H13Cl2F3N2O
Molecular Weight377.19 g/mol
Exact Mass376.04
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCc1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13Cl2F3N2O/c17-11-5-6-14(12(9-11)16(19,20)21)23-15(24)22-8-7-10-3-1-2-4-13(10)18/h1-6,9H,7-8H2,(H2,22,23,24)
InChIKeySGPKYWYPZQYJBV-UHFFFAOYSA-N
XLogP5.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.19
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901052
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoylamino]-N-prop-2-ynylpropanamide
CID 49279774
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108889014
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 19916448
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea (CID 108900378) is 1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea is O=C(NCCc1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea?
The InChIKey is SGPKYWYPZQYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O/c17-11-5-6-14(12(9-11)16(19,20)21)23-15(24)22-8-7-10-3-1-2-4-13(10)18/h1-6,9H,7-8H2,(H2,22,23,24).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea?
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea has a molecular weight of 377.19 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108900378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).