1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea

C18H15BrN4O2 — CID 11177011

IUPAC1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea
SMILESO=C(NNc1cccc(Oc2ccncc2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN4O2/c19-13-4-6-14(7-5-13)21-18(24)23-22-15-2-1-3-17(12-15)25-16-8-10-20-11-9-16/h1-12,22H,(H2,21,23,24)
InChIKeyDGTSGFRYGVFNFQ-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.78
Rot. Bonds5

About 1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea

1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea (PubChem CID 11177011) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea
PubChem CID11177011
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea
SMILESO=C(NNc1cccc(Oc2ccncc2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN4O2/c19-13-4-6-14(7-5-13)21-18(24)23-22-15-2-1-3-17(12-15)25-16-8-10-20-11-9-16/h1-12,22H,(H2,21,23,24)
InChIKeyDGTSGFRYGVFNFQ-UHFFFAOYSA-N
XLogP4.78
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-3-(3-pyridin-4-yloxyanilino)urea
CID 11428013
1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea
CID 11314668
[3-(4-bromophenoxy)phenyl]carbamic acid
CID 138629295
N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11476310
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
4-[3-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11327580
N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
N-methyl-4-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11385670
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
4-[3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11306141
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea (CID 11177011) is 1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea is O=C(NNc1cccc(Oc2ccncc2)c1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea?
The InChIKey is DGTSGFRYGVFNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c19-13-4-6-14(7-5-13)21-18(24)23-22-15-2-1-3-17(12-15)25-16-8-10-20-11-9-16/h1-12,22H,(H2,21,23,24).
What are the key properties of 1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea?
1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea has a molecular weight of 399.25 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea is sourced from PubChem (CID 11177011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).