5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide

C18H19BrClNO2 — CID 133164754

IUPAC5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(Br)ccc1Cl)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H19BrClNO2/c1-4-16(12-5-8-17(23-3)11(2)9-12)21-18(22)14-10-13(19)6-7-15(14)20/h5-10,16H,4H2,1-3H3,(H,21,22)
InChIKeyKABCAIKYMCLFJJ-UHFFFAOYSA-N
MW396.71 g/mol
LogP5.30
Rot. Bonds5

About 5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide

5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide (PubChem CID 133164754) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
PubChem CID133164754
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC Name5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(Br)ccc1Cl)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H19BrClNO2/c1-4-16(12-5-8-17(23-3)11(2)9-12)21-18(22)14-10-13(19)6-7-15(14)20/h5-10,16H,4H2,1-3H3,(H,21,22)
InChIKeyKABCAIKYMCLFJJ-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100760961
2-chloro-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 100638516
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 100638531
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 100711328
2-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133162635
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100772095
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100772091
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100604900

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide (CID 133164754) is 5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide is CCC(NC(=O)c1cc(Br)ccc1Cl)c1ccc(OC)c(C)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The InChIKey is KABCAIKYMCLFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c1-4-16(12-5-8-17(23-3)11(2)9-12)21-18(22)14-10-13(19)6-7-15(14)20/h5-10,16H,4H2,1-3H3,(H,21,22).
What are the key properties of 5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide?
5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide has a molecular weight of 396.71 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 133164754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).