2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

C12H13BrClNO2 — CID 103860931

IUPAC2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H13BrClNO2/c1-2-5-15(6-7-16)12(17)10-4-3-9(14)8-11(10)13/h2-4,8,16H,1,5-7H2
InChIKeyBLCDZVAANYVNNS-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.72
Rot. Bonds5

About 2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (PubChem CID 103860931) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
PubChem CID103860931
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H13BrClNO2/c1-2-5-15(6-7-16)12(17)10-4-3-9(14)8-11(10)13/h2-4,8,16H,1,5-7H2
InChIKeyBLCDZVAANYVNNS-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
CID 107988333
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
5-chloro-N-(2-hydroxyethyl)-2-nitro-N-prop-2-enylbenzamide
CID 115776034
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
2-[(2-bromo-5-chlorobenzoyl)-prop-2-enylamino]acetic acid
CID 106703905
2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115775854
2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114918916
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 107185946
1-[(2-bromo-4-chlorobenzoyl)amino]-3-prop-2-enylurea
CID 59536782
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (CID 103860931) is 2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is BLCDZVAANYVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c1-2-5-15(6-7-16)12(17)10-4-3-9(14)8-11(10)13/h2-4,8,16H,1,5-7H2.
What are the key properties of 2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 318.60 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 103860931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).