1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea

C20H16F2N2OS — CID 19648747

IUPAC1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
SMILESFc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C20H16F2N2OS/c21-15-6-11-19(18(22)12-15)24-20(26)23-16-7-9-17(10-8-16)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,24,26)
InChIKeyQRRGWKVOHNRIDA-UHFFFAOYSA-N
MW370.42 g/mol
LogP5.35
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea

1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea (PubChem CID 19648747) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
PubChem CID19648747
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC Name1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
SMILESFc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C20H16F2N2OS/c21-15-6-11-19(18(22)12-15)24-20(26)23-16-7-9-17(10-8-16)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,24,26)
InChIKeyQRRGWKVOHNRIDA-UHFFFAOYSA-N
XLogP5.35
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.42
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 37220850
1-(3-fluoro-2-methylphenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 53364886
1-[(4-fluorophenyl)methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 2210967
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
1-(2,4-dimethoxyphenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 2212546
1-(2,4-difluorophenyl)-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 141080201
1-(2,4-difluoroanilino)-3-(4-ethoxyphenyl)thiourea
CID 7942306
1-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4200590
1-(4-bromophenyl)-3-(2,4-difluorophenyl)thiourea
CID 683119
1-(2-fluorophenyl)-3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]thiourea
CID 100669243

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea (CID 19648747) is 1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea is Fc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea?
The InChIKey is QRRGWKVOHNRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2OS/c21-15-6-11-19(18(22)12-15)24-20(26)23-16-7-9-17(10-8-16)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,24,26).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea?
1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea has a molecular weight of 370.42 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea is sourced from PubChem (CID 19648747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).