1-(4-anilinophenyl)-3-benzylurea

C20H19N3O — CID 24664594

IUPAC1-(4-anilinophenyl)-3-benzylurea
SMILESO=C(NCc1ccccc1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C20H19N3O/c24-20(21-15-16-7-3-1-4-8-16)23-19-13-11-18(12-14-19)22-17-9-5-2-6-10-17/h1-14,22H,15H2,(H2,21,23,24)
InChIKeyKEBJXIHREIDNHW-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.75
Rot. Bonds5

About 1-(4-anilinophenyl)-3-benzylurea

1-(4-anilinophenyl)-3-benzylurea (PubChem CID 24664594) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(4-anilinophenyl)-3-benzylurea.

Molecular Properties

Compound Name1-(4-anilinophenyl)-3-benzylurea
PubChem CID24664594
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-(4-anilinophenyl)-3-benzylurea
SMILESO=C(NCc1ccccc1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C20H19N3O/c24-20(21-15-16-7-3-1-4-8-16)23-19-13-11-18(12-14-19)22-17-9-5-2-6-10-17/h1-14,22H,15H2,(H2,21,23,24)
InChIKeyKEBJXIHREIDNHW-UHFFFAOYSA-N
XLogP4.75
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(4-methylidenearsanylphenyl)urea
CID 158613945
4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
1-benzyl-3-(6-bromo-3-pyridinyl)urea
CID 110605118
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
1-[4-(3-aminoprop-1-ynyl)phenyl]-3-benzylurea
CID 107654436
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
1-benzyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825541

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)-3-benzylurea?
The IUPAC name of 1-(4-anilinophenyl)-3-benzylurea (CID 24664594) is 1-(4-anilinophenyl)-3-benzylurea.
What is the SMILES notation for 1-(4-anilinophenyl)-3-benzylurea?
The canonical SMILES for 1-(4-anilinophenyl)-3-benzylurea is O=C(NCc1ccccc1)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-anilinophenyl)-3-benzylurea?
The InChIKey is KEBJXIHREIDNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(21-15-16-7-3-1-4-8-16)23-19-13-11-18(12-14-19)22-17-9-5-2-6-10-17/h1-14,22H,15H2,(H2,21,23,24).
What are the key properties of 1-(4-anilinophenyl)-3-benzylurea?
1-(4-anilinophenyl)-3-benzylurea has a molecular weight of 317.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)-3-benzylurea is sourced from PubChem (CID 24664594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).