1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea

C11H11BrClN3O2 — CID 59536782

IUPAC1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea
SMILESC=CCNC(=O)NNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H11BrClN3O2/c1-2-5-14-11(18)16-15-10(17)8-4-3-7(13)6-9(8)12/h2-4,6H,1,5H2,(H,15,17)(H2,14,16,18)
InChIKeyAAXPMDUPLDLZKX-UHFFFAOYSA-N
MW332.59 g/mol
LogP2.23
Rot. Bonds3

About 1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea

1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea (PubChem CID 59536782) has the molecular formula C11H11BrClN3O2 and a molecular weight of 332.59 g/mol. Its IUPAC name is 1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea
PubChem CID59536782
Molecular FormulaC11H11BrClN3O2
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC Name1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea
SMILESC=CCNC(=O)NNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H11BrClN3O2/c1-2-5-14-11(18)16-15-10(17)8-4-3-7(13)6-9(8)12/h2-4,6H,1,5H2,(H,15,17)(H2,14,16,18)
InChIKeyAAXPMDUPLDLZKX-UHFFFAOYSA-N
XLogP2.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 52.23
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

4-chloro-2-methyl-N-prop-2-enylbenzamide
CID 103775370
1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea
CID 66671923
2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
CID 107988215
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 4932228
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
CID 107988333
1-(2-bromoanilino)-3-prop-2-enylurea
CID 19762168
2-bromo-4-chloro-N-(4-formylphenyl)benzamide
CID 107987879
2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
CID 107993837
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113257915

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea?
The IUPAC name of 1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea (CID 59536782) is 1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea.
What is the SMILES notation for 1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea?
The canonical SMILES for 1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea is C=CCNC(=O)NNC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea?
The InChIKey is AAXPMDUPLDLZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2/c1-2-5-14-11(18)16-15-10(17)8-4-3-7(13)6-9(8)12/h2-4,6H,1,5H2,(H,15,17)(H2,14,16,18).
What are the key properties of 1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea?
1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea has a molecular weight of 332.59 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea is sourced from PubChem (CID 59536782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).