1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea

C14H20FN3O — CID 107172661

IUPAC1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccccc1F)C1CCCNCC1
InChIInChI=1S/C14H20FN3O/c1-18(11-5-4-9-16-10-8-11)14(19)17-13-7-3-2-6-12(13)15/h2-3,6-7,11,16H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyFWNAPSPFDSVCLE-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.43
Rot. Bonds2

About 1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea

1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea (PubChem CID 107172661) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
PubChem CID107172661
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ccccc1F)C1CCCNCC1
InChIInChI=1S/C14H20FN3O/c1-18(11-5-4-9-16-10-8-11)14(19)17-13-7-3-2-6-12(13)15/h2-3,6-7,11,16H,4-5,8-10H2,1H3,(H,17,19)
InChIKeyFWNAPSPFDSVCLE-UHFFFAOYSA-N
XLogP2.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60800156
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CID 63642324
1-(azepan-4-yl)-3-(4-cyanophenyl)-1-methylurea
CID 107172674
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
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CID 107172410
3-(2-fluorophenyl)-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79701630
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725
1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
CID 102874295
N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
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2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea?
The IUPAC name of 1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea (CID 107172661) is 1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea.
What is the SMILES notation for 1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea?
The canonical SMILES for 1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea is CN(C(=O)Nc1ccccc1F)C1CCCNCC1.
What is the InChIKey of 1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea?
The InChIKey is FWNAPSPFDSVCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18(11-5-4-9-16-10-8-11)14(19)17-13-7-3-2-6-12(13)15/h2-3,6-7,11,16H,4-5,8-10H2,1H3,(H,17,19).
What are the key properties of 1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea?
1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea has a molecular weight of 265.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea is sourced from PubChem (CID 107172661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).