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

C11H11BrClN3O2 — CID 66671923

IUPAC1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea
SMILESC=CCN(NC(=O)c1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C11H11BrClN3O2/c1-2-5-16(11(14)18)15-10(17)8-4-3-7(13)6-9(8)12/h2-4,6H,1,5H2,(H2,14,18)(H,15,17)
InChIKeyFSRPRDDNDGHXOJ-UHFFFAOYSA-N
MW332.59 g/mol
LogP2.31
Rot. Bonds3

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

1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea (PubChem CID 66671923) has the molecular formula C11H11BrClN3O2 and a molecular weight of 332.59 g/mol. Its IUPAC name is 1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea
PubChem CID66671923
Molecular FormulaC11H11BrClN3O2
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC Name1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea
SMILESC=CCN(NC(=O)c1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C11H11BrClN3O2/c1-2-5-16(11(14)18)15-10(17)8-4-3-7(13)6-9(8)12/h2-4,6H,1,5H2,(H2,14,18)(H,15,17)
InChIKeyFSRPRDDNDGHXOJ-UHFFFAOYSA-N
XLogP2.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 52.31
H-Bond Donors ≤ 52
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

2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
CID 107988333
1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea
CID 59536782
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide
CID 113257326
2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
CID 107988215
2-bromo-4-chloro-N-(4-formylphenyl)benzamide
CID 107987879
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
CID 103763181
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea?
The IUPAC name of 1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea (CID 66671923) is 1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea.
What is the SMILES notation for 1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea?
The canonical SMILES for 1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea is C=CCN(NC(=O)c1ccc(Cl)cc1Br)C(N)=O.
What is the InChIKey of 1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea?
The InChIKey is FSRPRDDNDGHXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2/c1-2-5-16(11(14)18)15-10(17)8-4-3-7(13)6-9(8)12/h2-4,6H,1,5H2,(H2,14,18)(H,15,17).
What are the key properties of 1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea?
1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea has a molecular weight of 332.59 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-chlorobenzoyl)amino]-1-prop-2-enylurea is sourced from PubChem (CID 66671923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).