N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide

C14H10BrClN2O — CID 800746

IUPACN-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H10BrClN2O/c15-11-4-7-13(17-9-11)18-14(19)8-3-10-1-5-12(16)6-2-10/h1-9H,(H,17,18,19)
InChIKeyJSQZSISVCHYYPB-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.15
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide

N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 800746) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID800746
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC NameN-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H10BrClN2O/c15-11-4-7-13(17-9-11)18-14(19)8-3-10-1-5-12(16)6-2-10/h1-9H,(H,17,18,19)
InChIKeyJSQZSISVCHYYPB-UHFFFAOYSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-pyridinyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 1345680
N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 77072567
3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
CID 897837
(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 102820557
(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6134268
(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 33327740
(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide
CID 134562646
N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1396132
N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3489821
N-(5-bromo-2-pyridinyl)-2,2-bis(4-chlorophenyl)acetamide
CID 66848488
N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 43111935
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide (CID 800746) is N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is JSQZSISVCHYYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-11-4-7-13(17-9-11)18-14(19)8-3-10-1-5-12(16)6-2-10/h1-9H,(H,17,18,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 337.60 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 800746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).