1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea

C15H15ClFN3O — CID 108896576

IUPAC1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
SMILESCN(C)c1cccc(NC(=O)Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H15ClFN3O/c1-20(2)11-6-3-5-10(9-11)18-15(21)19-14-12(16)7-4-8-13(14)17/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyQJTSVXZFAZZZJU-UHFFFAOYSA-N
MW307.76 g/mol
LogP4.19
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea

1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea (PubChem CID 108896576) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
PubChem CID108896576
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea
SMILESCN(C)c1cccc(NC(=O)Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H15ClFN3O/c1-20(2)11-6-3-5-10(9-11)18-15(21)19-14-12(16)7-4-8-13(14)17/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyQJTSVXZFAZZZJU-UHFFFAOYSA-N
XLogP4.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108520830
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
CID 108896387
1-[3-(dimethylamino)phenyl]-3-[(E)-prop-1-enyl]urea
CID 108909610
1-[3-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 108871519
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea (CID 108896576) is 1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea is CN(C)c1cccc(NC(=O)Nc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea?
The InChIKey is QJTSVXZFAZZZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-20(2)11-6-3-5-10(9-11)18-15(21)19-14-12(16)7-4-8-13(14)17/h3-9H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea?
1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea has a molecular weight of 307.76 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-[3-(dimethylamino)phenyl]urea is sourced from PubChem (CID 108896576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).