N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide

C19H20BrN3O4 — CID 3393600

IUPACN-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)C(=O)NN=Cc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C19H20BrN3O4/c1-12(18(24)22-15-5-7-16(26-2)8-6-15)19(25)23-21-11-13-10-14(20)4-9-17(13)27-3/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyLNHBGWBFXBNUBE-UHFFFAOYSA-N
MW434.29 g/mol
LogP3.19
Rot. Bonds7

About N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide

N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide (PubChem CID 3393600) has the molecular formula C19H20BrN3O4 and a molecular weight of 434.29 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
PubChem CID3393600
Molecular FormulaC19H20BrN3O4
Molecular Weight434.29 g/mol
Exact Mass433.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)C(=O)NN=Cc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C19H20BrN3O4/c1-12(18(24)22-15-5-7-16(26-2)8-6-15)19(25)23-21-11-13-10-14(20)4-9-17(13)27-3/h4-12H,1-3H3,(H,22,24)(H,23,25)
InChIKeyLNHBGWBFXBNUBE-UHFFFAOYSA-N
XLogP3.19
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 4309026
N-[(3,4-dimethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 4275631
N-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3894482
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 3564415
N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061179
N-[(3-bromo-4-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3277232
N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5244598
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957637
2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide
CID 4108357
N-[(2-ethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3978554
N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 3863592
N'-[(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 4591503

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide (CID 3393600) is N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide is COc1ccc(NC(=O)C(C)C(=O)NN=Cc2cc(Br)ccc2OC)cc1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide?
The InChIKey is LNHBGWBFXBNUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O4/c1-12(18(24)22-15-5-7-16(26-2)8-6-15)19(25)23-21-11-13-10-14(20)4-9-17(13)27-3/h4-12H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide?
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide has a molecular weight of 434.29 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide is sourced from PubChem (CID 3393600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).