1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea

C16H16F2N2O — CID 108989076

IUPAC1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O/c1-2-20(11-12-6-4-3-5-7-12)16(21)19-13-8-9-14(17)15(18)10-13/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyFXFYCZCBLYSFSM-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.02
Rot. Bonds4

About 1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea

1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea (PubChem CID 108989076) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea.

Molecular Properties

Compound Name1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
PubChem CID108989076
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O/c1-2-20(11-12-6-4-3-5-7-12)16(21)19-13-8-9-14(17)15(18)10-13/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyFXFYCZCBLYSFSM-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
N-[5-[[benzyl(ethyl)carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 51080356
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423
2-[[2-[benzyl(ethyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 8563869
N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812
3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea
CID 17180082
1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 79161967
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide
CID 109171558
1-benzyl-1-ethyl-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylurea
CID 47032879
2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea?
The IUPAC name of 1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea (CID 108989076) is 1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea.
What is the SMILES notation for 1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea?
The canonical SMILES for 1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea is CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea?
The InChIKey is FXFYCZCBLYSFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-2-20(11-12-6-4-3-5-7-12)16(21)19-13-8-9-14(17)15(18)10-13/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of 1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea?
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea has a molecular weight of 290.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea is sourced from PubChem (CID 108989076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).