2-bromo-N-(2-chloro-3-methoxypropyl)benzamide

C11H13BrClNO2 — CID 114298631

IUPAC2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
SMILESCOCC(Cl)CNC(=O)c1ccccc1Br
InChIInChI=1S/C11H13BrClNO2/c1-16-7-8(13)6-14-11(15)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyHEKNBYPVKLNEDU-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.43
Rot. Bonds5

About 2-bromo-N-(2-chloro-3-methoxypropyl)benzamide

2-bromo-N-(2-chloro-3-methoxypropyl)benzamide (PubChem CID 114298631) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
PubChem CID114298631
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
SMILESCOCC(Cl)CNC(=O)c1ccccc1Br
InChIInChI=1S/C11H13BrClNO2/c1-16-7-8(13)6-14-11(15)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKeyHEKNBYPVKLNEDU-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-chloro-3-methoxypropyl)-2-methylbenzamide
CID 114298695
N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
CID 114298974
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318
5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 114298680
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
N-(2-chloro-3-methoxypropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 114298845
2-bromo-N-(4-chloro-2-methylbutyl)benzamide
CID 114305988
N-(2-bromo-3-methoxypropyl)-2-chlorobenzamide
CID 114309984
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-3-methoxypropyl)benzamide?
The IUPAC name of 2-bromo-N-(2-chloro-3-methoxypropyl)benzamide (CID 114298631) is 2-bromo-N-(2-chloro-3-methoxypropyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-3-methoxypropyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-chloro-3-methoxypropyl)benzamide is COCC(Cl)CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-chloro-3-methoxypropyl)benzamide?
The InChIKey is HEKNBYPVKLNEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-16-7-8(13)6-14-11(15)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-chloro-3-methoxypropyl)benzamide?
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide has a molecular weight of 306.59 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-3-methoxypropyl)benzamide is sourced from PubChem (CID 114298631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).