1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea

C16H14ClF3N4O — CID 10044700

IUPAC1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)NC1CN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H14ClF3N4O/c17-12-3-1-2-4-13(12)23-15(25)22-11-8-24(9-11)14-6-5-10(7-21-14)16(18,19)20/h1-7,11H,8-9H2,(H2,22,23,25)
InChIKeyDPNWTPUYXVOKCF-UHFFFAOYSA-N
MW370.76 g/mol
LogP3.76
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea

1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea (PubChem CID 10044700) has the molecular formula C16H14ClF3N4O and a molecular weight of 370.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea
PubChem CID10044700
Molecular FormulaC16H14ClF3N4O
Molecular Weight370.76 g/mol
Exact Mass370.08
IUPAC Name1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)NC1CN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C16H14ClF3N4O/c17-12-3-1-2-4-13(12)23-15(25)22-11-8-24(9-11)14-6-5-10(7-21-14)16(18,19)20/h1-7,11H,8-9H2,(H2,22,23,25)
InChIKeyDPNWTPUYXVOKCF-UHFFFAOYSA-N
XLogP3.76
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55351597
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
1-benzhydryl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874849
1-(4-fluorophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874842
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38523304
1-(3,5-dimethoxyphenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 121142878
1-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]pyrazole-3-carboxamide
CID 171993697
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
2-[(2-chlorophenyl)methoxy]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55777562
1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
CID 95714073
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea (CID 10044700) is 1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea is O=C(Nc1ccccc1Cl)NC1CN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea?
The InChIKey is DPNWTPUYXVOKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O/c17-12-3-1-2-4-13(12)23-15(25)22-11-8-24(9-11)14-6-5-10(7-21-14)16(18,19)20/h1-7,11H,8-9H2,(H2,22,23,25).
What are the key properties of 1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea?
1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea has a molecular weight of 370.76 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]urea is sourced from PubChem (CID 10044700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).