[(4-bromophenyl)methylamino]urea

C8H10BrN3O — CID 170288364

IUPAC[(4-bromophenyl)methylamino]urea
SMILESNC(=O)NNCc1ccc(Br)cc1
InChIInChI=1S/C8H10BrN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-4,11H,5H2,(H3,10,12,13)
InChIKeyDRIOKBZLXSFWNI-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.12
Rot. Bonds3

About [(4-bromophenyl)methylamino]urea

[(4-bromophenyl)methylamino]urea (PubChem CID 170288364) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is [(4-bromophenyl)methylamino]urea.

Molecular Properties

Compound Name[(4-bromophenyl)methylamino]urea
PubChem CID170288364
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name[(4-bromophenyl)methylamino]urea
SMILESNC(=O)NNCc1ccc(Br)cc1
InChIInChI=1S/C8H10BrN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-4,11H,5H2,(H3,10,12,13)
InChIKeyDRIOKBZLXSFWNI-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124787
1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea
CID 117235648
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
2-[(4-bromophenyl)methoxy]acetamide
CID 82831352
methyl N-[(2S,3S)-1-[2-[(4-bromophenyl)methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 91077200
2-hydroxyethyl N-[(4-bromophenyl)methyl]carbamate
CID 79345643
methyl N-[(3S)-2-[2-[(4-bromophenyl)methyl]hydrazinyl]-4,4-dimethylpent-1-en-3-yl]carbamate
CID 89192567
(4-bromophenyl)urea
CID 16074
N-[(4-bromophenyl)methyl]butanamide
CID 22503328

Frequently Asked Questions

What is the IUPAC name of [(4-bromophenyl)methylamino]urea?
The IUPAC name of [(4-bromophenyl)methylamino]urea (CID 170288364) is [(4-bromophenyl)methylamino]urea.
What is the SMILES notation for [(4-bromophenyl)methylamino]urea?
The canonical SMILES for [(4-bromophenyl)methylamino]urea is NC(=O)NNCc1ccc(Br)cc1.
What is the InChIKey of [(4-bromophenyl)methylamino]urea?
The InChIKey is DRIOKBZLXSFWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-4,11H,5H2,(H3,10,12,13).
What are the key properties of [(4-bromophenyl)methylamino]urea?
[(4-bromophenyl)methylamino]urea has a molecular weight of 244.09 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromophenyl)methylamino]urea is sourced from PubChem (CID 170288364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).