1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea

C19H18F4N2O — CID 60595790

IUPAC1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NC1CC1c1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F4N2O/c1-11(12-4-2-6-14(8-12)19(21,22)23)24-18(26)25-17-10-16(17)13-5-3-7-15(20)9-13/h2-9,11,16-17H,10H2,1H3,(H2,24,25,26)
InChIKeyPFBUKLURANQYMP-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.76
Rot. Bonds4

About 1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea

1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 60595790) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID60595790
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NC1CC1c1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F4N2O/c1-11(12-4-2-6-14(8-12)19(21,22)23)24-18(26)25-17-10-16(17)13-5-3-7-15(20)9-13/h2-9,11,16-17H,10H2,1H3,(H2,24,25,26)
InChIKeyPFBUKLURANQYMP-UHFFFAOYSA-N
XLogP4.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750
2-methyl-2-methylsulfonyl-N-[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 97213190
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 95179447
1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
(2R)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 124734525
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732062
2-(dimethylamino)-N-[2-(3-fluorophenyl)cyclopropyl]-2-phenylacetamide
CID 71883326
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 60592666
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119686309
1-[(1R,2S)-2-phenylcyclopropyl]-3-[(1S)-1-[2-[4-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]ethyl]urea
CID 168955837

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 60595790) is 1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)NC1CC1c1cccc(F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is PFBUKLURANQYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O/c1-11(12-4-2-6-14(8-12)19(21,22)23)24-18(26)25-17-10-16(17)13-5-3-7-15(20)9-13/h2-9,11,16-17H,10H2,1H3,(H2,24,25,26).
What are the key properties of 1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 366.36 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 60595790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).