1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea

C16H15ClF2N2O2 — CID 112825322

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H15ClF2N2O2/c1-21(9-10-5-11(17)3-4-15(10)23-2)16(22)20-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyUXZVAWGWWCTCKO-UHFFFAOYSA-N
MW340.76 g/mol
LogP4.29
Rot. Bonds4

About 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea

1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea (PubChem CID 112825322) has the molecular formula C16H15ClF2N2O2 and a molecular weight of 340.76 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea
PubChem CID112825322
Molecular FormulaC16H15ClF2N2O2
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H15ClF2N2O2/c1-21(9-10-5-11(17)3-4-15(10)23-2)16(22)20-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyUXZVAWGWWCTCKO-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 87008091
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3-ethoxypropyl)-1-methylurea
CID 119064750
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-fluorophenyl)-1-methylthiourea
CID 8565189
1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 32528960
1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea
CID 55696349
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(4-chlorophenyl)-N,2-dimethylpropanamide
CID 55870773
(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 9137098
3-amino-1-[2-(5-chloro-2-methoxyphenyl)ethyl]-1-methylurea
CID 115193010
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea (CID 112825322) is 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea is COc1ccc(Cl)cc1CN(C)C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea?
The InChIKey is UXZVAWGWWCTCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2/c1-21(9-10-5-11(17)3-4-15(10)23-2)16(22)20-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea?
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea has a molecular weight of 340.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea is sourced from PubChem (CID 112825322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).