2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium

C16H19FN3O+ — CID 6941397

IUPAC2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium
SMILESCc1ccc(NC(=O)N(CC[NH3+])c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FN3O/c1-12-2-6-14(7-3-12)19-16(21)20(11-10-18)15-8-4-13(17)5-9-15/h2-9H,10-11,18H2,1H3,(H,19,21)/p+1
InChIKeyOTTWHLXCZQOFMK-UHFFFAOYSA-O
MW288.35 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium

2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium (PubChem CID 6941397) has the molecular formula C16H19FN3O+ and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium.

Molecular Properties

Compound Name2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium
PubChem CID6941397
Molecular FormulaC16H19FN3O+
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium
SMILESCc1ccc(NC(=O)N(CC[NH3+])c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FN3O/c1-12-2-6-14(7-3-12)19-16(21)20(11-10-18)15-8-4-13(17)5-9-15/h2-9H,10-11,18H2,1H3,(H,19,21)/p+1
InChIKeyOTTWHLXCZQOFMK-UHFFFAOYSA-O
XLogP2.41
TPSA59.98 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-aminoethyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)urea
CID 770559
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
CID 42726462
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-2,2-diphenylacetamide
CID 42726048
2-chloro-N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 4661824
1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
CID 42705478
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3,5,5-trimethylhexanamide
CID 42726117
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
2-[N-[(4-nitrophenyl)carbamoyl]anilino]ethylazanium
CID 7201824

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium?
The IUPAC name of 2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium (CID 6941397) is 2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium.
What is the SMILES notation for 2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium?
The canonical SMILES for 2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium is Cc1ccc(NC(=O)N(CC[NH3+])c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium?
The InChIKey is OTTWHLXCZQOFMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18FN3O/c1-12-2-6-14(7-3-12)19-16(21)20(11-10-18)15-8-4-13(17)5-9-15/h2-9H,10-11,18H2,1H3,(H,19,21)/p+1.
What are the key properties of 2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium?
2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium has a molecular weight of 288.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethylazanium is sourced from PubChem (CID 6941397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).