1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea

C15H16FN3O — CID 63359762

IUPAC1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea
SMILESNCc1ccc(CNC(=O)Nc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FN3O/c16-14-8-11(9-17)6-7-12(14)10-18-15(20)19-13-4-2-1-3-5-13/h1-8H,9-10,17H2,(H2,18,19,20)
InChIKeyRBTUSRIRBKRDJW-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.61
Rot. Bonds4

About 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea

1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea (PubChem CID 63359762) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea
PubChem CID63359762
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea
SMILESNCc1ccc(CNC(=O)Nc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FN3O/c16-14-8-11(9-17)6-7-12(14)10-18-15(20)19-13-4-2-1-3-5-13/h1-8H,9-10,17H2,(H2,18,19,20)
InChIKeyRBTUSRIRBKRDJW-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(aminomethyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 62951380
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide
CID 63358790
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
CID 106900402
1-(3-cyanophenyl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea
CID 47070336
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide
CID 114456992
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
1-[4-(aminomethyl)phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 62811695
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 63359488

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea?
The IUPAC name of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea (CID 63359762) is 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea is NCc1ccc(CNC(=O)Nc2ccccc2)c(F)c1.
What is the InChIKey of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea?
The InChIKey is RBTUSRIRBKRDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-14-8-11(9-17)6-7-12(14)10-18-15(20)19-13-4-2-1-3-5-13/h1-8H,9-10,17H2,(H2,18,19,20).
What are the key properties of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea?
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea has a molecular weight of 273.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea is sourced from PubChem (CID 63359762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).