2-bromo-4-chloro-N-(2-methoxypropyl)benzamide

C11H13BrClNO2 — CID 102737720

IUPAC2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H13BrClNO2/c1-7(16-2)6-14-11(15)9-4-3-8(13)5-10(9)12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyRWCAYQUROPNDGN-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.87
Rot. Bonds4

About 2-bromo-4-chloro-N-(2-methoxypropyl)benzamide

2-bromo-4-chloro-N-(2-methoxypropyl)benzamide (PubChem CID 102737720) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
PubChem CID102737720
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
SMILESCOC(C)CNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H13BrClNO2/c1-7(16-2)6-14-11(15)9-4-3-8(13)5-10(9)12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyRWCAYQUROPNDGN-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-2-iodopropanoate
CID 107994403
4-[(2-bromo-4-chlorobenzoyl)amino]-3-methoxybutanoic acid
CID 114024394
5-chloro-2-iodo-N-(2-methoxypropyl)benzamide
CID 102795252
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
5-bromo-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102698343
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-bromo-N-(2-bromopentyl)-4-chlorobenzamide
CID 107994234
4-bromo-2-fluoro-5-(2-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 102701096
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962
2-bromo-N-(3-bromo-4-methoxybutyl)-4-chlorobenzamide
CID 106245083

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-methoxypropyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2-methoxypropyl)benzamide (CID 102737720) is 2-bromo-4-chloro-N-(2-methoxypropyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-methoxypropyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2-methoxypropyl)benzamide is COC(C)CNC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2-methoxypropyl)benzamide?
The InChIKey is RWCAYQUROPNDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(16-2)6-14-11(15)9-4-3-8(13)5-10(9)12/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-4-chloro-N-(2-methoxypropyl)benzamide?
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide has a molecular weight of 306.59 g/mol, XLogP of 2.87, 4 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-methoxypropyl)benzamide is sourced from PubChem (CID 102737720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).