4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide

C12H15BrClNO3 — CID 114155070

IUPAC4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide
SMILESCOCC(CCl)NC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C12H15BrClNO3/c1-17-7-9(6-14)15-12(16)10-4-3-8(13)5-11(10)18-2/h3-5,9H,6-7H2,1-2H3,(H,15,16)
InChIKeyLZKLNXGZGQWIOY-UHFFFAOYSA-N
MW336.61 g/mol
LogP2.44
Rot. Bonds6

About 4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide

4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide (PubChem CID 114155070) has the molecular formula C12H15BrClNO3 and a molecular weight of 336.61 g/mol. Its IUPAC name is 4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide
PubChem CID114155070
Molecular FormulaC12H15BrClNO3
Molecular Weight336.61 g/mol
Exact Mass334.99
IUPAC Name4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide
SMILESCOCC(CCl)NC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C12H15BrClNO3/c1-17-7-9(6-14)15-12(16)10-4-3-8(13)5-11(10)18-2/h3-5,9H,6-7H2,1-2H3,(H,15,16)
InChIKeyLZKLNXGZGQWIOY-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.61
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106182630
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 106182637
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
CID 106183345
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
N-(1-chloro-3-methoxypropan-2-yl)-2-hydroxy-4-methylbenzamide
CID 106183449
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
CID 106155756
4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423
4-bromo-2-methoxy-N-pent-4-en-2-ylbenzamide
CID 115631363
3-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzamide
CID 106182197
(E)-2-[(4-bromo-2-methoxybenzoyl)amino]hex-4-enoic acid
CID 120692805
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide (CID 114155070) is 4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide is COCC(CCl)NC(=O)c1ccc(Br)cc1OC.
What is the InChIKey of 4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide?
The InChIKey is LZKLNXGZGQWIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3/c1-17-7-9(6-14)15-12(16)10-4-3-8(13)5-11(10)18-2/h3-5,9H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide?
4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide has a molecular weight of 336.61 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 114155070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).