5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide

C32H33BrCl2N4O2 — CID 160983677

IUPAC5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide
SMILESO=C(CCCCc1cccc(Br)c1)Nc1ccc(Cl)cn1.O=C(CCCCc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H16BrClN2O.C16H17ClN2O/c17-13-6-3-5-12(10-13)4-1-2-7-16(21)20-15-9-8-14(18)11-19-15;17-14-10-11-15(18-12-14)19-16(20)9-5-4-8-13-6-2-1-3-7-13/h3,5-6,8-11H,1-2,4,7H2,(H,19,20,21);1-3,6-7,10-12H,4-5,8-9H2,(H,18,19,20)
InChIKeySZVKRHIQKIWKOF-UHFFFAOYSA-N
MW656.45 g/mol
LogP8.94
Rot. Bonds12

About 5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide

5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide (PubChem CID 160983677) has the molecular formula C32H33BrCl2N4O2 and a molecular weight of 656.45 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide
PubChem CID160983677
Molecular FormulaC32H33BrCl2N4O2
Molecular Weight656.45 g/mol
Exact Mass654.12
IUPAC Name5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide
SMILESO=C(CCCCc1cccc(Br)c1)Nc1ccc(Cl)cn1.O=C(CCCCc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H16BrClN2O.C16H17ClN2O/c17-13-6-3-5-12(10-13)4-1-2-7-16(21)20-15-9-8-14(18)11-19-15;17-14-10-11-15(18-12-14)19-16(20)9-5-4-8-13-6-2-1-3-7-13/h3,5-6,8-11H,1-2,4,7H2,(H,19,20,21);1-3,6-7,10-12H,4-5,8-9H2,(H,18,19,20)
InChIKeySZVKRHIQKIWKOF-UHFFFAOYSA-N
XLogP8.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.45
LogP ≤ 58.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 44449252
N-(5-chloropyridin-2-yl)-3,3-diphenylpropanamide
CID 878314
N-(5-bromopyridin-2-yl)-2-(4-chlorophenyl)acetamide
CID 738231
5-bromo-N-(5-chloropyridin-2-yl)naphthalene-1-carboxamide
CID 1016141
4-Bromo-N-(5-chloro-2-pyridyl)benzamide
CID 603892
3-bromo-N-(4-chloro-2-pyridyl)benzamide
CID 3011459
N-(5-Chloro-2-pyridinyl)-2,2-diphenylacetamide
CID 597522
3-bromo-N-(5-chloropyridin-2-yl)benzamide
CID 603300
2-bromo-N-(5-chloropyridin-2-yl)benzamide
CID 670512
US10323029, Generic formula 52642
CID 121264335
N-(5-chloropyridin-2-yl)-2,2-diphenylpropanamide
CID 805285
3-bromo-N-(3-chloropyridin-2-yl)benzamide
CID 931494

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide?
The IUPAC name of 5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide (CID 160983677) is 5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide.
What is the SMILES notation for 5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide?
The canonical SMILES for 5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide is O=C(CCCCc1cccc(Br)c1)Nc1ccc(Cl)cn1.O=C(CCCCc1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of 5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide?
The InChIKey is SZVKRHIQKIWKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O.C16H17ClN2O/c17-13-6-3-5-12(10-13)4-1-2-7-16(21)20-15-9-8-14(18)11-19-15;17-14-10-11-15(18-12-14)19-16(20)9-5-4-8-13-6-2-1-3-7-13/h3,5-6,8-11H,1-2,4,7H2,(H,19,20,21);1-3,6-7,10-12H,4-5,8-9H2,(H,18,19,20).
What are the key properties of 5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide?
5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide has a molecular weight of 656.45 g/mol, XLogP of 8.94, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-(5-chloro-2-pyridinyl)pentanamide;N-(5-chloro-2-pyridinyl)-5-phenylpentanamide is sourced from PubChem (CID 160983677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).