N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide

C25H25BrN2O4 — CID 21229756

IUPACN-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide
SMILESCCCOc1ccc(C(=O)N(C(=O)c2ccc(OCCC)cc2)c2ccc(Br)cn2)cc1
InChIInChI=1S/C25H25BrN2O4/c1-3-15-31-21-10-5-18(6-11-21)24(29)28(23-14-9-20(26)17-27-23)25(30)19-7-12-22(13-8-19)32-16-4-2/h5-14,17H,3-4,15-16H2,1-2H3
InChIKeyOEBQNIIAYLLLKL-UHFFFAOYSA-N
MW497.39 g/mol
LogP5.91
Rot. Bonds9

About N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide

N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide (PubChem CID 21229756) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide
PubChem CID21229756
Molecular FormulaC25H25BrN2O4
Molecular Weight497.39 g/mol
Exact Mass496.10
IUPAC NameN-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide
SMILESCCCOc1ccc(C(=O)N(C(=O)c2ccc(OCCC)cc2)c2ccc(Br)cn2)cc1
InChIInChI=1S/C25H25BrN2O4/c1-3-15-31-21-10-5-18(6-11-21)24(29)28(23-14-9-20(26)17-27-23)25(30)19-7-12-22(13-8-19)32-16-4-2/h5-14,17H,3-4,15-16H2,1-2H3
InChIKeyOEBQNIIAYLLLKL-UHFFFAOYSA-N
XLogP5.91
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide
CID 17358116
5-bromo-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 62953584
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
methyl 2-[methyl-(4-propoxybenzoyl)amino]acetate
CID 43407552
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
CID 115268312
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide (CID 21229756) is N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide is CCCOc1ccc(C(=O)N(C(=O)c2ccc(OCCC)cc2)c2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide?
The InChIKey is OEBQNIIAYLLLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c1-3-15-31-21-10-5-18(6-11-21)24(29)28(23-14-9-20(26)17-27-23)25(30)19-7-12-22(13-8-19)32-16-4-2/h5-14,17H,3-4,15-16H2,1-2H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide?
N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide has a molecular weight of 497.39 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide is sourced from PubChem (CID 21229756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).