[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea

C15H15ClFN3O — CID 43774024

IUPAC[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea
SMILESCC(Nc1ccc(F)cc1Cl)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H15ClFN3O/c1-9(19-14-7-4-11(17)8-13(14)16)10-2-5-12(6-3-10)20-15(18)21/h2-9,19H,1H3,(H3,18,20,21)
InChIKeyPTZZIKXPXVOQMY-UHFFFAOYSA-N
MW307.76 g/mol
LogP4.14
Rot. Bonds4

About [4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea

[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea (PubChem CID 43774024) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is [4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea
PubChem CID43774024
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea
SMILESCC(Nc1ccc(F)cc1Cl)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H15ClFN3O/c1-9(19-14-7-4-11(17)8-13(14)16)10-2-5-12(6-3-10)20-15(18)21/h2-9,19H,1H3,(H3,18,20,21)
InChIKeyPTZZIKXPXVOQMY-UHFFFAOYSA-N
XLogP4.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
[4-[1-(2-fluoroanilino)ethyl]phenyl]urea
CID 43763368
[4-[1-(2-bromo-3-chloroanilino)ethyl]phenyl]urea
CID 103478127
2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43150506
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
CID 52501243
[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
CID 43744548
(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
CID 2475002

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea (CID 43774024) is [4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea is CC(Nc1ccc(F)cc1Cl)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea?
The InChIKey is PTZZIKXPXVOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-9(19-14-7-4-11(17)8-13(14)16)10-2-5-12(6-3-10)20-15(18)21/h2-9,19H,1H3,(H3,18,20,21).
What are the key properties of [4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea?
[4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea has a molecular weight of 307.76 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-chloro-4-fluoroanilino)ethyl]phenyl]urea is sourced from PubChem (CID 43774024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).