1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea

C14H22FN3O2 — CID 118773614

IUPAC1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea
SMILESCCN(CCN(C)C)C(=O)Nc1ccc(OC)cc1F
InChIInChI=1S/C14H22FN3O2/c1-5-18(9-8-17(2)3)14(19)16-13-7-6-11(20-4)10-12(13)15/h6-7,10H,5,8-9H2,1-4H3,(H,16,19)
InChIKeyYDHUKPONKQFVAV-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea

1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea (PubChem CID 118773614) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea
PubChem CID118773614
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea
SMILESCCN(CCN(C)C)C(=O)Nc1ccc(OC)cc1F
InChIInChI=1S/C14H22FN3O2/c1-5-18(9-8-17(2)3)14(19)16-13-7-6-11(20-4)10-12(13)15/h6-7,10H,5,8-9H2,1-4H3,(H,16,19)
InChIKeyYDHUKPONKQFVAV-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
CID 115412057
2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987
2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 55129490
1,1-diethyl-3-(2,4,5-trifluorophenyl)urea
CID 115613885
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113160520
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea (CID 118773614) is 1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea is CCN(CCN(C)C)C(=O)Nc1ccc(OC)cc1F.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea?
The InChIKey is YDHUKPONKQFVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-5-18(9-8-17(2)3)14(19)16-13-7-6-11(20-4)10-12(13)15/h6-7,10H,5,8-9H2,1-4H3,(H,16,19).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea?
1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea has a molecular weight of 283.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea is sourced from PubChem (CID 118773614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).