(E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide

C20H14BrN5O — CID 25064125

IUPAC(E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)Nc1ccc(Br)cc1-c1nn[nH]n1
InChIInChI=1S/C20H14BrN5O/c21-16-8-9-18(17(12-16)20-23-25-26-24-20)22-19(27)10-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12H,(H,22,27)(H,23,24,25,26)/b10-6+
InChIKeyKRWFSTSSTRVBNH-UXBLZVDNSA-N
MW420.27 g/mol
LogP4.43
Rot. Bonds4

About (E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide

(E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide (PubChem CID 25064125) has the molecular formula C20H14BrN5O and a molecular weight of 420.27 g/mol. Its IUPAC name is (E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
PubChem CID25064125
Molecular FormulaC20H14BrN5O
Molecular Weight420.27 g/mol
Exact Mass419.04
IUPAC Name(E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)Nc1ccc(Br)cc1-c1nn[nH]n1
InChIInChI=1S/C20H14BrN5O/c21-16-8-9-18(17(12-16)20-23-25-26-24-20)22-19(27)10-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12H,(H,22,27)(H,23,24,25,26)/b10-6+
InChIKeyKRWFSTSSTRVBNH-UXBLZVDNSA-N
XLogP4.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
CID 68576695
(E)-3-[3,4-bis(hydroxymethyl)phenyl]-N-[2-(2H-tetrazol-5-yl)phenyl]prop-2-enamide
CID 89187960
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide
CID 126830344
(E)-N-[5-chloro-2-(2H-tetrazol-5-ylmethoxy)phenyl]-3-naphthalen-2-ylprop-2-enamide;prop-1-ene
CID 143697600
7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 67551838
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
(E)-3-naphthalen-2-ylprop-2-enehydrazide
CID 70290410
3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 4643848
5-bromo-2-(3-phenylprop-2-enoylamino)benzoic acid
CID 72738376
2-(3-naphthalen-2-ylprop-2-enoylamino)acetic acid
CID 175036011
3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
CID 76905377

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide (CID 25064125) is (E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide is O=C(/C=C/c1ccc2ccccc2c1)Nc1ccc(Br)cc1-c1nn[nH]n1.
What is the InChIKey of (E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide?
The InChIKey is KRWFSTSSTRVBNH-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H14BrN5O/c21-16-8-9-18(17(12-16)20-23-25-26-24-20)22-19(27)10-6-13-5-7-14-3-1-2-4-15(14)11-13/h1-12H,(H,22,27)(H,23,24,25,26)/b10-6+.
What are the key properties of (E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide?
(E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide has a molecular weight of 420.27 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide is sourced from PubChem (CID 25064125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).