1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea

C15H16FN3O — CID 103110682

IUPAC1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea
SMILESCc1c(N)cccc1CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-10-11(3-2-4-14(10)17)9-18-15(20)19-13-7-5-12(16)6-8-13/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyRFLIPGYOYABGMZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.04
Rot. Bonds3

About 1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea

1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea (PubChem CID 103110682) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea
PubChem CID103110682
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea
SMILESCc1c(N)cccc1CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-10-11(3-2-4-14(10)17)9-18-15(20)19-13-7-5-12(16)6-8-13/h2-8H,9,17H2,1H3,(H2,18,19,20)
InChIKeyRFLIPGYOYABGMZ-UHFFFAOYSA-N
XLogP3.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-amino-2-methylphenyl)methyl]-3-propan-2-ylurea
CID 103110640
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)urea
CID 79531349
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
5-[[(4-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024175
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 103110367
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684
ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea (CID 103110682) is 1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea is Cc1c(N)cccc1CNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea?
The InChIKey is RFLIPGYOYABGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-11(3-2-4-14(10)17)9-18-15(20)19-13-7-5-12(16)6-8-13/h2-8H,9,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea?
1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea has a molecular weight of 273.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-methylphenyl)methyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 103110682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).