1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea

C14H10Cl2F3N3O — CID 2745367

IUPAC1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2F3N3O/c15-9-1-3-10(4-2-9)22-13(23)21-7-12-11(16)5-8(6-20-12)14(17,18)19/h1-6H,7H2,(H2,21,22,23)
InChIKeyYJHHPKURGYEQBU-UHFFFAOYSA-N
MW364.15 g/mol
LogP4.73
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea

1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea (PubChem CID 2745367) has the molecular formula C14H10Cl2F3N3O and a molecular weight of 364.15 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
PubChem CID2745367
Molecular FormulaC14H10Cl2F3N3O
Molecular Weight364.15 g/mol
Exact Mass363.02
IUPAC Name1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2F3N3O/c15-9-1-3-10(4-2-9)22-13(23)21-7-12-11(16)5-8(6-20-12)14(17,18)19/h1-6H,7H2,(H2,21,22,23)
InChIKeyYJHHPKURGYEQBU-UHFFFAOYSA-N
XLogP4.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-(3,5-dichlorophenyl)thiourea
CID 84820031
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 22027356
2-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 3631017
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 66989884
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]thiourea
CID 2745993
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 22027361
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide
CID 89152139

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea (CID 2745367) is 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea is O=C(NCc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea?
The InChIKey is YJHHPKURGYEQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N3O/c15-9-1-3-10(4-2-9)22-13(23)21-7-12-11(16)5-8(6-20-12)14(17,18)19/h1-6H,7H2,(H2,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea?
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea has a molecular weight of 364.15 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea is sourced from PubChem (CID 2745367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).