1-(2-bromoanilino)-3-prop-2-enylurea

C10H12BrN3O — CID 19762168

IUPAC1-(2-bromoanilino)-3-prop-2-enylurea
SMILESC=CCNC(=O)NNc1ccccc1Br
InChIInChI=1S/C10H12BrN3O/c1-2-7-12-10(15)14-13-9-6-4-3-5-8(9)11/h2-6,13H,1,7H2,(H2,12,14,15)
InChIKeyYNWRHSCUGUTMND-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.26
Rot. Bonds4

About 1-(2-bromoanilino)-3-prop-2-enylurea

1-(2-bromoanilino)-3-prop-2-enylurea (PubChem CID 19762168) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(2-bromoanilino)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-bromoanilino)-3-prop-2-enylurea
PubChem CID19762168
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name1-(2-bromoanilino)-3-prop-2-enylurea
SMILESC=CCNC(=O)NNc1ccccc1Br
InChIInChI=1S/C10H12BrN3O/c1-2-7-12-10(15)14-13-9-6-4-3-5-8(9)11/h2-6,13H,1,7H2,(H2,12,14,15)
InChIKeyYNWRHSCUGUTMND-UHFFFAOYSA-N
XLogP2.26
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromophenyl)methyl]-3-prop-2-enylurea
CID 108897925
3-(2-bromoanilino)-N-prop-2-enylpropanamide
CID 109011948
1-(2-bromoanilino)-3-(4-fluorophenyl)urea
CID 17482426
1-(2,5-dibromophenyl)-3-prop-2-enylurea
CID 47033525
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
6-(2-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110542
1-prop-2-enyl-3-[2-(trifluoromethyl)phenyl]urea
CID 52591377
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea
CID 59536782
1,2-bis(2-bromophenyl)hydrazine
CID 139124202
6-(2-bromoanilino)-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361513
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoanilino)-3-prop-2-enylurea?
The IUPAC name of 1-(2-bromoanilino)-3-prop-2-enylurea (CID 19762168) is 1-(2-bromoanilino)-3-prop-2-enylurea.
What is the SMILES notation for 1-(2-bromoanilino)-3-prop-2-enylurea?
The canonical SMILES for 1-(2-bromoanilino)-3-prop-2-enylurea is C=CCNC(=O)NNc1ccccc1Br.
What is the InChIKey of 1-(2-bromoanilino)-3-prop-2-enylurea?
The InChIKey is YNWRHSCUGUTMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-2-7-12-10(15)14-13-9-6-4-3-5-8(9)11/h2-6,13H,1,7H2,(H2,12,14,15).
What are the key properties of 1-(2-bromoanilino)-3-prop-2-enylurea?
1-(2-bromoanilino)-3-prop-2-enylurea has a molecular weight of 270.13 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoanilino)-3-prop-2-enylurea is sourced from PubChem (CID 19762168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).