4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide

C12H15BrClNO2 — CID 60967608

IUPAC4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2/c1-2-5-15(6-7-16)12(17)10-4-3-9(13)8-11(10)14/h3-4,8,16H,2,5-7H2,1H3
InChIKeyORLDIXGKPYWDDR-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.95
Rot. Bonds5

About 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide

4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 60967608) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID60967608
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2/c1-2-5-15(6-7-16)12(17)10-4-3-9(13)8-11(10)14/h3-4,8,16H,2,5-7H2,1H3
InChIKeyORLDIXGKPYWDDR-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655961
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
ethyl 2-[(4-bromo-2-chlorobenzoyl)-propylamino]acetate
CID 61008661
4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395077
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-2-chloro-N-ethylbenzamide
CID 54988663
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 82771632
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 60747371
2,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 114375647
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide (CID 60967608) is 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is ORLDIXGKPYWDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-2-5-15(6-7-16)12(17)10-4-3-9(13)8-11(10)14/h3-4,8,16H,2,5-7H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide?
4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 320.61 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide is sourced from PubChem (CID 60967608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).