1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea

C15H13Cl2FN2O3 — CID 156854733

IUPAC1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea
SMILESCOc1cc(F)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2CO)c1
InChIInChI=1S/C15H13Cl2FN2O3/c1-23-11-5-9(18)4-10(6-11)19-15(22)20-14-3-8(16)2-13(17)12(14)7-21/h2-6,21H,7H2,1H3,(H2,19,20,22)
InChIKeyRYPAQZNBTBHBPV-UHFFFAOYSA-N
MW359.18 g/mol
LogP4.28
Rot. Bonds4

About 1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea

1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea (PubChem CID 156854733) has the molecular formula C15H13Cl2FN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea
PubChem CID156854733
Molecular FormulaC15H13Cl2FN2O3
Molecular Weight359.18 g/mol
Exact Mass358.03
IUPAC Name1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea
SMILESCOc1cc(F)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2CO)c1
InChIInChI=1S/C15H13Cl2FN2O3/c1-23-11-5-9(18)4-10(6-11)19-15(22)20-14-3-8(16)2-13(17)12(14)7-21/h2-6,21H,7H2,1H3,(H2,19,20,22)
InChIKeyRYPAQZNBTBHBPV-UHFFFAOYSA-N
XLogP4.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
1-(3,5-dichlorophenyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea
CID 166747549
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-[3-(2-hydroxyethylamino)-5-methoxyphenyl]urea
CID 156854692
1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea
CID 100666210
1-(3-bromo-5-fluorophenyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]urea
CID 156854541
1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 156854666
N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
CID 130500039
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-(2,6-dichloro-4-pyridinyl)-3-[3,5-difluoro-2-(hydroxymethyl)phenyl]urea
CID 156854528
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea?
The IUPAC name of 1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea (CID 156854733) is 1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea.
What is the SMILES notation for 1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea?
The canonical SMILES for 1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea is COc1cc(F)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2CO)c1.
What is the InChIKey of 1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea?
The InChIKey is RYPAQZNBTBHBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3/c1-23-11-5-9(18)4-10(6-11)19-15(22)20-14-3-8(16)2-13(17)12(14)7-21/h2-6,21H,7H2,1H3,(H2,19,20,22).
What are the key properties of 1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea?
1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea has a molecular weight of 359.18 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea is sourced from PubChem (CID 156854733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).