1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea

C15H16FN3O — CID 43744437

IUPAC1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C15H16FN3O/c1-17-15(20)19-13-8-6-12(7-9-13)18-10-11-4-2-3-5-14(11)16/h2-9,18H,10H2,1H3,(H2,17,19,20)
InChIKeyCNGHLSCDQOONKJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.19
Rot. Bonds4

About 1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea

1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea (PubChem CID 43744437) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
PubChem CID43744437
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C15H16FN3O/c1-17-15(20)19-13-8-6-12(7-9-13)18-10-11-4-2-3-5-14(11)16/h2-9,18H,10H2,1H3,(H2,17,19,20)
InChIKeyCNGHLSCDQOONKJ-UHFFFAOYSA-N
XLogP3.19
TPSA53.16 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 ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744335
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
2-(2-fluorophenyl)-N-[4-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 112982033
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]-3-methylurea
CID 107694378
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382
2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide
CID 141192167
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982381
2-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 35364792
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009
1-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]-3-methylurea
CID 66159553

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea (CID 43744437) is 1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea is CNC(=O)Nc1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea?
The InChIKey is CNGHLSCDQOONKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-17-15(20)19-13-8-6-12(7-9-13)18-10-11-4-2-3-5-14(11)16/h2-9,18H,10H2,1H3,(H2,17,19,20).
What are the key properties of 1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea?
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea has a molecular weight of 273.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea is sourced from PubChem (CID 43744437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).