N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide

C18H19BrN2O3 — CID 108946965

IUPACN'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C18H19BrN2O3/c1-12-9-14(19)7-8-15(12)21-18(23)10-17(22)20-11-13-5-3-4-6-16(13)24-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFLXHJMOGTPXJNY-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.41
Rot. Bonds6

About N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide

N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (PubChem CID 108946965) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
PubChem CID108946965
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C18H19BrN2O3/c1-12-9-14(19)7-8-15(12)21-18(23)10-17(22)20-11-13-5-3-4-6-16(13)24-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFLXHJMOGTPXJNY-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946963
N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946915
N-(5-bromo-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 55905124
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 26582779
N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946920
N'-(4-bromo-2-methylphenyl)-N-[(4-methylphenyl)methyl]propanediamide
CID 108945836
2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide
CID 30867221
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515914
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946916
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (CID 108946965) is N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is COc1ccccc1CNC(=O)CC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The InChIKey is FLXHJMOGTPXJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-9-14(19)7-8-15(12)21-18(23)10-17(22)20-11-13-5-3-4-6-16(13)24-2/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide has a molecular weight of 391.27 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108946965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).