N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide

C21H17BrN2O2 — CID 2288457

IUPACN-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O2/c1-26-19-13-9-17(10-14-19)21(25)24-23-20(15-5-3-2-4-6-15)16-7-11-18(22)12-8-16/h2-14H,1H3,(H,24,25)
InChIKeyBQNAZEKZSHEBKJ-UHFFFAOYSA-N
MW409.28 g/mol
LogP4.64
Rot. Bonds5

About N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide

N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide (PubChem CID 2288457) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
PubChem CID2288457
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC NameN-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H17BrN2O2/c1-26-19-13-9-17(10-14-19)21(25)24-23-20(15-5-3-2-4-6-15)16-7-11-18(22)12-8-16/h2-14H,1H3,(H,24,25)
InChIKeyBQNAZEKZSHEBKJ-UHFFFAOYSA-N
XLogP4.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 4524840
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 71673973
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655

Frequently Asked Questions

What is the IUPAC name of N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide?
The IUPAC name of N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide (CID 2288457) is N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide.
What is the SMILES notation for N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide?
The canonical SMILES for N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide is COc1ccc(C(=O)NN=C(c2ccccc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide?
The InChIKey is BQNAZEKZSHEBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c1-26-19-13-9-17(10-14-19)21(25)24-23-20(15-5-3-2-4-6-15)16-7-11-18(22)12-8-16/h2-14H,1H3,(H,24,25).
What are the key properties of N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide?
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide has a molecular weight of 409.28 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide is sourced from PubChem (CID 2288457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).