1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea

C14H12F3N3O2 — CID 2814321

IUPAC1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H12F3N3O2/c1-22-11-4-2-3-10(7-11)19-13(21)20-12-6-5-9(8-18-12)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyDNWNYCSRLQSRMC-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.75
Rot. Bonds3

About 1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea

1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea (PubChem CID 2814321) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
PubChem CID2814321
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C14H12F3N3O2/c1-22-11-4-2-3-10(7-11)19-13(21)20-12-6-5-9(8-18-12)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKeyDNWNYCSRLQSRMC-UHFFFAOYSA-N
XLogP3.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(aminomethyl)-2-pyridinyl]-3-(3-methoxyphenyl)urea
CID 62355150
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)urea
CID 97455774
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate
CID 108865397
6-[(3-methoxyphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63642574
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea (CID 2814321) is 1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea is COc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea?
The InChIKey is DNWNYCSRLQSRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-22-11-4-2-3-10(7-11)19-13(21)20-12-6-5-9(8-18-12)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21).
What are the key properties of 1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea?
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea has a molecular weight of 311.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea is sourced from PubChem (CID 2814321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).