1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea

C17H18ClFN2O — CID 108896439

IUPAC1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)Nc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H18ClFN2O/c1-3-12-7-9-13(10-8-12)11(2)20-17(22)21-16-14(18)5-4-6-15(16)19/h4-11H,3H2,1-2H3,(H2,20,21,22)
InChIKeyLBBDNRPOHLOQQK-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.92
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea

1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea (PubChem CID 108896439) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea
PubChem CID108896439
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)Nc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H18ClFN2O/c1-3-12-7-9-13(10-8-12)11(2)20-17(22)21-16-14(18)5-4-6-15(16)19/h4-11H,3H2,1-2H3,(H2,20,21,22)
InChIKeyLBBDNRPOHLOQQK-UHFFFAOYSA-N
XLogP4.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820326
1-(2,6-difluorophenyl)-3-(4-ethylphenyl)urea
CID 108991509
N-(2,3-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108500692
3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 133225048
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
(2S)-2-[(2-chloro-6-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 104877889
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate
CID 108865137
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
1-(2,6-difluorophenyl)-3-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]urea
CID 71886613
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
1-[(1R)-1-(3-bromophenyl)ethyl]-3-(2,6-difluorophenyl)urea
CID 51944481

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea (CID 108896439) is 1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea is CCc1ccc(C(C)NC(=O)Nc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea?
The InChIKey is LBBDNRPOHLOQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-3-12-7-9-13(10-8-12)11(2)20-17(22)21-16-14(18)5-4-6-15(16)19/h4-11H,3H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea?
1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea has a molecular weight of 320.80 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea is sourced from PubChem (CID 108896439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).