1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea

C18H20FN3O2 — CID 86916186

IUPAC1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea
SMILESCCc1ccc(C(C)NC(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-3-13-4-6-14(7-5-13)12(2)20-18(24)22-21-17(23)15-8-10-16(19)11-9-15/h4-12H,3H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyWAWQWMQOADNIKP-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.09
Rot. Bonds4

About 1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea

1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea (PubChem CID 86916186) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea
PubChem CID86916186
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea
SMILESCCc1ccc(C(C)NC(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-3-13-4-6-14(7-5-13)12(2)20-18(24)22-21-17(23)15-8-10-16(19)11-9-15/h4-12H,3H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyWAWQWMQOADNIKP-UHFFFAOYSA-N
XLogP3.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046
N-[1-[1-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 75130560
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
1-[(4-fluorobenzoyl)amino]-3-(3-methylbutan-2-yl)urea
CID 47159837
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide
CID 63525462
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-butan-2-yl-2-[[(4-fluorobenzoyl)amino]carbamoylamino]propanamide
CID 86861293

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea?
The IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea (CID 86916186) is 1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea.
What is the SMILES notation for 1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea?
The canonical SMILES for 1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea is CCc1ccc(C(C)NC(=O)NNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea?
The InChIKey is WAWQWMQOADNIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-3-13-4-6-14(7-5-13)12(2)20-18(24)22-21-17(23)15-8-10-16(19)11-9-15/h4-12H,3H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea?
1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea has a molecular weight of 329.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea is sourced from PubChem (CID 86916186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).