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

C14H19BrClNO3 — CID 103841754

IUPAC3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCCN(C(=O)c1ccc(Cl)c(Br)c1)C(C)COC
InChIInChI=1S/C14H19BrClNO3/c1-10(9-20-3)17(6-7-19-2)14(18)11-4-5-13(16)12(15)8-11/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyRRJBLSGFOFQGQP-UHFFFAOYSA-N
MW364.67 g/mol
LogP3.23
Rot. Bonds7

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

3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 103841754) has the molecular formula C14H19BrClNO3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
PubChem CID103841754
Molecular FormulaC14H19BrClNO3
Molecular Weight364.67 g/mol
Exact Mass363.02
IUPAC Name3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCCN(C(=O)c1ccc(Cl)c(Br)c1)C(C)COC
InChIInChI=1S/C14H19BrClNO3/c1-10(9-20-3)17(6-7-19-2)14(18)11-4-5-13(16)12(15)8-11/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyRRJBLSGFOFQGQP-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103841773
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 103957082
4-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54978956
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103988730
3-bromo-4-chloro-N-(2-chloroethyl)-N-propan-2-ylbenzamide
CID 107993605
3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
N-butan-2-yl-3-chloro-N-(2-methoxyethyl)-4-nitrobenzamide
CID 82778505
6-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62187168
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-bromo-4-chloro-N-(2-methoxyethyl)benzamide
CID 107992488
2-amino-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 63659332
3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
CID 107999335

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide (CID 103841754) is 3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide is COCCN(C(=O)c1ccc(Cl)c(Br)c1)C(C)COC.
What is the InChIKey of 3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is RRJBLSGFOFQGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO3/c1-10(9-20-3)17(6-7-19-2)14(18)11-4-5-13(16)12(15)8-11/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide?
3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 364.67 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 103841754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).