1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea

C16H14ClFN2O2 — CID 71556387

IUPAC1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-10(21)11-3-6-14(7-4-11)20-16(22)19-9-12-2-5-13(18)8-15(12)17/h2-8H,9H2,1H3,(H2,19,20,22)
InChIKeyOMPSORZBAKIDCD-UHFFFAOYSA-N
MW320.75 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea

1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea (PubChem CID 71556387) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea
PubChem CID71556387
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-10(21)11-3-6-14(7-4-11)20-16(22)19-9-12-2-5-13(18)8-15(12)17/h2-8H,9H2,1H3,(H2,19,20,22)
InChIKeyOMPSORZBAKIDCD-UHFFFAOYSA-N
XLogP4.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]propanamide
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CID 103605319
2-(4-acetylanilino)-N-(2-chloro-4-fluorophenyl)acetamide
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1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
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1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
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CID 58801034
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 2570057
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253501
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea (CID 71556387) is 1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea is CC(=O)c1ccc(NC(=O)NCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea?
The InChIKey is OMPSORZBAKIDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-10(21)11-3-6-14(7-4-11)20-16(22)19-9-12-2-5-13(18)8-15(12)17/h2-8H,9H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea?
1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea has a molecular weight of 320.75 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea is sourced from PubChem (CID 71556387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).