[4-[(3-methylphenyl)methylamino]phenyl]urea

C15H17N3O — CID 43744878

IUPAC[4-[(3-methylphenyl)methylamino]phenyl]urea
SMILESCc1cccc(CNc2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C15H17N3O/c1-11-3-2-4-12(9-11)10-17-13-5-7-14(8-6-13)18-15(16)19/h2-9,17H,10H2,1H3,(H3,16,18,19)
InChIKeyUFRBXIWPCHCFPL-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.10
Rot. Bonds4

About [4-[(3-methylphenyl)methylamino]phenyl]urea

[4-[(3-methylphenyl)methylamino]phenyl]urea (PubChem CID 43744878) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [4-[(3-methylphenyl)methylamino]phenyl]urea.

Molecular Properties

Compound Name[4-[(3-methylphenyl)methylamino]phenyl]urea
PubChem CID43744878
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[4-[(3-methylphenyl)methylamino]phenyl]urea
SMILESCc1cccc(CNc2ccc(NC(N)=O)cc2)c1
InChIInChI=1S/C15H17N3O/c1-11-3-2-4-12(9-11)10-17-13-5-7-14(8-6-13)18-15(16)19/h2-9,17H,10H2,1H3,(H3,16,18,19)
InChIKeyUFRBXIWPCHCFPL-UHFFFAOYSA-N
XLogP3.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
[4-(benzylamino)phenyl]urea
CID 43744943
ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
CID 175503495
(3-methylphenyl)methylurea
CID 60776531
propyl 4-[(3-methylphenyl)methylamino]benzoate
CID 43217485
2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996973
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
CID 43744882
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylphenyl)methylamino]phenyl]urea?
The IUPAC name of [4-[(3-methylphenyl)methylamino]phenyl]urea (CID 43744878) is [4-[(3-methylphenyl)methylamino]phenyl]urea.
What is the SMILES notation for [4-[(3-methylphenyl)methylamino]phenyl]urea?
The canonical SMILES for [4-[(3-methylphenyl)methylamino]phenyl]urea is Cc1cccc(CNc2ccc(NC(N)=O)cc2)c1.
What is the InChIKey of [4-[(3-methylphenyl)methylamino]phenyl]urea?
The InChIKey is UFRBXIWPCHCFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-3-2-4-12(9-11)10-17-13-5-7-14(8-6-13)18-15(16)19/h2-9,17H,10H2,1H3,(H3,16,18,19).
What are the key properties of [4-[(3-methylphenyl)methylamino]phenyl]urea?
[4-[(3-methylphenyl)methylamino]phenyl]urea has a molecular weight of 255.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methylphenyl)methylamino]phenyl]urea is sourced from PubChem (CID 43744878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).