1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea

C19H22F2N2O — CID 134915142

IUPAC1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)N(c1ccc(F)cc1)C(C)C)c1ccc(F)cc1
InChIInChI=1S/C19H22F2N2O/c1-13(2)22(17-9-5-15(20)6-10-17)19(24)23(14(3)4)18-11-7-16(21)8-12-18/h5-14H,1-4H3
InChIKeyJBCQVAGPPCZGIV-UHFFFAOYSA-N
MW332.39 g/mol
LogP5.21
Rot. Bonds4

About 1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea

1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea (PubChem CID 134915142) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea
PubChem CID134915142
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)N(c1ccc(F)cc1)C(C)C)c1ccc(F)cc1
InChIInChI=1S/C19H22F2N2O/c1-13(2)22(17-9-5-15(20)6-10-17)19(24)23(14(3)4)18-11-7-16(21)8-12-18/h5-14H,1-4H3
InChIKeyJBCQVAGPPCZGIV-UHFFFAOYSA-N
XLogP5.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methyl-N',N'-diphenylurea
CID 25711
Centralite
CID 6828
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1,3-Dimethyl-1,3-diphenylurea
CID 11917
1-Ethyl-1,3-diphenylurea
CID 98685
N-Cyclohexyl-N'-(4-(dimethylamino)phenyl)urea
CID 844453
N-Cyclohexyl-N'-phenylurea
CID 13451
2-Imidazolidinone, 1,3-diphenyl-
CID 975958
N-Methyl-N-phenylurea
CID 78316
N,N-Diethyl-N'-phenylurea
CID 13906
3-Ethyl-1,1-diphenylurea
CID 28929
1-Cyclohexyl-1-methyl-3-phenylurea
CID 2813892

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea?
The IUPAC name of 1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea (CID 134915142) is 1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea is CC(C)N(C(=O)N(c1ccc(F)cc1)C(C)C)c1ccc(F)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea?
The InChIKey is JBCQVAGPPCZGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-13(2)22(17-9-5-15(20)6-10-17)19(24)23(14(3)4)18-11-7-16(21)8-12-18/h5-14H,1-4H3.
What are the key properties of 1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea?
1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea has a molecular weight of 332.39 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-1,3-di(propan-2-yl)urea is sourced from PubChem (CID 134915142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).